 23
 Energy -581.4533431898  Point 1  Step 0.000
 N    0.43859471   1.47681167  -0.23137278
 C    1.16135202   0.26269917   0.17315131
 C   -0.90593937   1.55587232   0.34730464
 C    1.21368093   2.66826712   0.09572680
 Si   0.22101635  -1.30559765  -0.38331336
 C   -1.56754216  -0.92861943   0.13103604
 C   -1.89712468   0.53487501  -0.23111536
 C    0.93405694  -2.86786454   0.42523681
 H    0.30811753  -1.42938699  -1.88230210
 H   -2.28637762  -1.62219271  -0.33851009
 H   -1.65380513  -1.07041173   1.22541674
 H   -1.90983263   0.65809079  -1.32900571
 H   -2.90698944   0.79778881   0.13462207
 H   -1.29126440   2.56744825   0.13032484
 H   -0.88045609   1.45717362   1.46261709
 H    2.16266854   0.27637883  -0.29464727
 H    1.33147639   0.22372927   1.28093492
 H    0.89590187  -2.79749586   1.52475997
 H    0.36185258  -3.75899904   0.11808417
 H    1.98409687  -3.02180890   0.12590651
 H    2.19486676   2.61854978  -0.40398445
 H    1.39477573   2.78901232   1.19089630
 H    0.69082701   3.56928396  -0.26629914
 23
 Energy -581.4533329853  Point 2  Step 0.097
 N    0.43791370   1.47869592  -0.23234424
 C    1.16288616   0.26236252   0.16085383
 C   -0.90429573   1.55294007   0.35238425
 C    1.21388947   2.66758343   0.10203092
 Si   0.22015244  -1.30754009  -0.38732920
 C   -1.56865668  -0.92941851   0.12567155
 C   -1.89722445   0.53584366  -0.22989315
 C    0.93372861  -2.86128079   0.43709464
 H    0.30776427  -1.44324621  -1.88526654
 H   -2.28744235  -1.62064136  -0.34741752
 H   -1.65621638  -1.07581654   1.21933872
 H   -1.91097754   0.66443515  -1.32714822
 H   -2.90635148   0.79789187   0.13840962
 H   -1.29074369   2.56601807   0.14463034
 H   -0.87442474   1.44581996   1.46682485
 H    2.16015995   0.27683033  -0.31557092
 H    1.34307213   0.21997778   1.26701340
 H    0.89263332  -2.77853462   1.53569633
 H    0.36344277  -3.75644527   0.13826177
 H    1.98479175  -3.01736108   0.14248780
 H    2.19322147   2.62287490  -0.40184377
 H    1.39929113   2.77838150   1.19756177
 H    0.68920365   3.57154201  -0.24981738
 23
 Energy -581.4533166801  Point 3  Step 0.201
 N    0.43691009   1.48060266  -0.23274253
 C    1.16448112   0.26201285   0.14794107
 C   -0.90253039   1.54946179   0.35892715
 C    1.21447150   2.66673683   0.10753353
 Si   0.21916290  -1.30955645  -0.39126937
 C   -1.57036670  -0.93035469   0.11889913
 C   -1.89719054   0.53716425  -0.22857951
 C    0.93360731  -2.85399805   0.44981101
 H    0.30808807  -1.45815543  -1.88791005
 H   -2.28842185  -1.61836880  -0.35993262
 H   -1.66110469  -1.08304472   1.21141270
 H   -1.91093822   0.67221350  -1.32505083
 H   -2.90598038   0.79816560   0.14137034
 H   -1.29007393   2.56425561   0.16192747
 H   -0.86782912   1.43238141   1.47222917
 H    2.15710891   0.27743034  -0.33814529
 H    1.35598716   0.21607031   1.25216015
 H    0.88713901  -2.76002315   1.54730905
 H    0.36805764  -3.75440684   0.15794494
 H    1.98663840  -3.00890071   0.16171805
 H    2.19034853   2.62720913  -0.40342272
 H    1.40731571   2.76715548   1.20278645
 H    0.68704937   3.57377224  -0.23206062
 23
 Energy -581.4532818046  Point 4  Step 0.307
 N    0.43583885   1.48227681  -0.23347433
 C    1.16643052   0.26200423   0.13532702
 C   -0.90051698   1.54554276   0.36584832
 C    1.21459373   2.66602006   0.11264233
 Si   0.21867677  -1.31135048  -0.39525556
 C   -1.57183372  -0.93133764   0.11155104
 C   -1.89736300   0.53850481  -0.22678331
 C    0.93251014  -2.84690330   0.46266114
 H    0.30961597  -1.47290826  -1.89039247
 H   -2.28889603  -1.61602733  -0.37353437
 H   -1.66586099  -1.09112539   1.20276328
 H   -1.91183400   0.68069938  -1.32233001
 H   -2.90549427   0.79825959   0.14579032
 H   -1.28908503   2.56210846   0.18038796
 H   -0.86028789   1.41794565   1.47780578
 H    2.15432781   0.27855416  -0.36034897
 H    1.36906660   0.21289015   1.23748713
 H    0.88165294  -2.74071613   1.55888830
 H    0.36966110  -3.75153151   0.17887778
 H    1.98697091  -3.00308446   0.18054846
 H    2.18745349   2.63175364  -0.40443611
 H    1.41392556   2.75651168   1.20759964
 H    0.68453268   3.57568918  -0.21553607
 23
 Energy -581.4532332929  Point 5  Step 0.412
 N    0.43479059   1.48397822  -0.23391928
 C    1.16828664   0.26196919   0.12259742
 C   -0.89853064   1.54159660   0.37274594
 C    1.21478223   2.66530190   0.11768835
 Si   0.21822127  -1.31318022  -0.39921802
 C   -1.57324999  -0.93235251   0.10418834
 C   -1.89750628   0.53976266  -0.22500401
 C    0.93133259  -2.83962884   0.47549986
 H    0.31123714  -1.48767008  -1.89277355
 H   -2.28937367  -1.61367420  -0.38701583
 H   -1.67053681  -1.09908416   1.19405668
 H   -1.91273737   0.68908088  -1.31957798
 H   -2.90506137   0.79804410   0.15011966
 H   -1.28806801   2.55981213   0.19884462
 H   -0.85288826   1.40357305   1.48326383
 H    2.15127364   0.27979904  -0.38278156
 H    1.38224632   0.20952898   1.22253150
 H    0.87595137  -2.72134369   1.57030741
 H    0.37088946  -3.74808271   0.19933693
 H    1.98718356  -2.99716857   0.19942223
 H    2.18458130   2.63618628  -0.40545119
 H    1.42070198   2.74635322   1.21218600
 H    0.68219050   3.57742483  -0.19939371
 23
 Energy -581.4531689883  Point 6  Step 0.518
 N    0.43369184   1.48559971  -0.23430857
 C    1.17016956   0.26201409   0.10998576
 C   -0.89650503   1.53755771   0.37967371
 C    1.21490995   2.66453391   0.12255646
 Si   0.21792352  -1.31494091  -0.40312251
 C   -1.57463291  -0.93338267   0.09661335
 C   -1.89766729   0.54099251  -0.22305713
 C    0.92990597  -2.83231437   0.48827619
 H    0.31332729  -1.50227473  -1.89498379
 H   -2.28957571  -1.61116524  -0.40116170
 H   -1.67537246  -1.10748141   1.18500540
 H   -1.91389154   0.69761613  -1.31657660
 H   -2.90446281   0.79793489   0.15498147
 H   -1.28699127   2.55726795   0.21705181
 H   -0.84559807   1.38929083   1.48862309
 H    2.14815508   0.28126754  -0.40501335
 H    1.39539409   0.20631912   1.20757686
 H    0.87086083  -2.70158502   1.58151360
 H    0.37108202  -3.74430998   0.22075028
 H    1.98679896  -2.99208230   0.21752265
 H    2.18150727   2.64075905  -0.40676022
 H    1.42757399   2.73599652   1.21643868
 H    0.67964840   3.57895768  -0.18314639
 23
 Energy -581.4531002976  Point 7  Step 0.623
 N    0.43258430   1.48709114  -0.23454721
 C    1.17212657   0.26214075   0.09752674
 C   -0.89442814   1.53337353   0.38678599
 C    1.21503518   2.66381931   0.12708413
 Si   0.21769663  -1.31664944  -0.40691744
 C   -1.57608899  -0.93443773   0.08871504
 C   -1.89789358   0.54226970  -0.22098783
 C    0.92833358  -2.82498273   0.50100351
 H    0.31591642  -1.51685859  -1.89691220
 H   -2.28987113  -1.60852767  -0.41571774
 H   -1.68031976  -1.11603611   1.17553859
 H   -1.91517666   0.70644222  -1.31337571
 H   -2.90403831   0.79742307   0.15995896
 H   -1.28571675   2.55452635   0.23562974
 H   -0.83813202   1.37479239   1.49404317
 H    2.14483573   0.28284183  -0.42735345
 H    1.40888755   0.20337874   1.19258623
 H    0.86521110  -2.68233789   1.59253529
 H    0.37142266  -3.74042336   0.24140703
 H    1.98639420  -2.98635828   0.23581908
 H    2.17839668   2.64519220  -0.40832146
 H    1.43439633   2.72587752   1.22023399
 H    0.67718613   3.58031369  -0.16763195
 23
 Energy -581.4530190636  Point 8  Step 0.729
 N    0.43151261   1.48857820  -0.23462953
 C    1.17396524   0.26228045   0.08508414
 C   -0.89224470   1.52902703   0.39390516
 C    1.21518112   2.66301387   0.13155967
 Si   0.21743448  -1.31835173  -0.41065491
 C   -1.57769054  -0.93551621   0.08076074
 C   -1.89804745   0.54348367  -0.21891418
 C    0.92681861  -2.81742995   0.51362524
 H    0.31839221  -1.53155952  -1.89866277
 H   -2.29008779  -1.60576403  -0.43067510
 H   -1.68560083  -1.12489006   1.16590055
 H   -1.91630958   0.71522272  -1.31009976
 H   -2.90333158   0.79743732   0.16506156
 H   -1.28429972   2.55150564   0.25423471
 H   -0.83063853   1.36009292   1.49933468
 H    2.14124990   0.28442832  -0.44976823
 H    1.42229873   0.20036893   1.17743389
 H    0.86001069  -2.66268837   1.60328989
 H    0.37170382  -3.73622448   0.26228393
 H    1.98594947  -2.98045913   0.25383080
 H    2.17548851   2.64917375  -0.40946758
 H    1.44098642   2.71710796   1.22383289
 H    0.67508112   3.58137452  -0.15302858
 23
 Energy -581.4529194881  Point 9  Step 0.834
 N    0.43038497   1.48997184  -0.23476709
 C    1.17574868   0.26239183   0.07257161
 C   -0.89014466   1.52471186   0.40104706
 C    1.21540190   2.66207283   0.13604295
 Si   0.21719496  -1.31999372  -0.41429986
 C   -1.57914588  -0.93655404   0.07286322
 C   -1.89816390   0.54465429  -0.21684632
 C    0.92526783  -2.80969950   0.52615757
 H    0.32088517  -1.54611815  -1.90021657
 H   -2.29012954  -1.60282764  -0.44572789
 H   -1.69127929  -1.13377962   1.15612498
 H   -1.91711681   0.72386876  -1.30679740
 H   -2.90297607   0.79671626   0.16956042
 H   -1.28285523   2.54843345   0.27280087
 H   -0.82321371   1.34551645   1.50455207
 H    2.13752820   0.28617915  -0.47209329
 H    1.43561046   0.19742438   1.16209334
 H    0.85503773  -2.64306369   1.61390618
 H    0.37149593  -3.73160559   0.28336627
 H    1.98531225  -2.97473208   0.27142225
 H    2.17255953   2.65320892  -0.41069370
 H    1.44766044   2.70762940   1.22735972
 H    0.67301979   3.58226966  -0.13797748
 23
 Energy -581.45281716  Point 10  Step 0.939
 N    0.42929995   1.49137171  -0.23481788
 C    1.17756582   0.26258485   0.06007825
 C   -0.88798687   1.52033940   0.40801540
 C    1.21565448   2.66108983   0.14051329
 Si   0.21695959  -1.32164145  -0.41780415
 C   -1.58070049  -0.93760354   0.06481080
 C   -1.89832527   0.54587229  -0.21470400
 C    0.92369809  -2.80196856   0.53858303
 H    0.32353242  -1.56053118  -1.90154512
 H   -2.29033493  -1.59973532  -0.46087222
 H   -1.69679509  -1.14256788   1.14621683
 H   -1.91858152   0.73249765  -1.30332566
 H   -2.90282435   0.79502407   0.17451627
 H   -1.28124713   2.54518420   0.29108133
 H   -0.81581927   1.33104518   1.50947614
 H    2.13358427   0.28799954  -0.49463358
 H    1.44926890   0.19460027   1.14655755
 H    0.84978678  -2.62325147   1.62419054
 H    0.37156510  -3.72696075   0.30413203
 H    1.98476077  -2.96863988   0.28922765
 H    2.16942664   2.65742260  -0.41218569
 H    1.45472943   2.69781686   1.23069379
 H    0.67090048   3.58306131  -0.12257024
 23
 Energy -581.4526880166  Point 11  Step 1.045
 N    0.42826081   1.49280925  -0.23492670
 C    1.17931621   0.26290093   0.04748707
 C   -0.88566119   1.51571784   0.41483591
 C    1.21589000   2.66010078   0.14500140
 Si   0.21674278  -1.32327437  -0.42115684
 C   -1.58238321  -0.93863841   0.05680480
 C   -1.89854308   0.54688347  -0.21256261
 C    0.92210439  -2.79417236   0.55088842
 H    0.32621460  -1.57500053  -1.90256208
 H   -2.29027932  -1.59666065  -0.47635769
 H   -1.70312005  -1.15166761   1.13609848
 H   -1.92005528   0.74124089  -1.29981545
 H   -2.90153432   0.79586632   0.18047445
 H   -1.27960218   2.54155237   0.30940007
 H   -0.80824805   1.31616624   1.51414844
 H    2.12955111   0.28997451  -0.51702270
 H    1.46257116   0.19211189   1.13088402
 H    0.84374487  -2.60387475   1.63424430
 H    0.37217698  -3.72237785   0.32407433
 H    1.98441832  -2.96169699   0.30744125
 H    2.16622303   2.66175687  -0.41364526
 H    1.46188927   2.68778088   1.23395264
 H    0.66874407   3.58378898  -0.10688903
 23
 Energy -581.4525592156  Point 12  Step 1.150
 N    0.42718137   1.49413396  -0.23501970
 C    1.18100452   0.26329092   0.03489802
 C   -0.88335205   1.51105253   0.42175991
 C    1.21622081   2.65906102   0.14945369
 Si   0.21653981  -1.32485063  -0.42444232
 C   -1.58407237  -0.93975865   0.04870543
 C   -1.89867334   0.54789531  -0.21036910
 C    0.92039498  -2.78615899   0.56316362
 H    0.32928286  -1.58969633  -1.90333559
 H   -2.29052301  -1.59333295  -0.49174263
 H   -1.70870769  -1.16059327   1.12595818
 H   -1.92116621   0.74978376  -1.29620636
 H   -2.90087951   0.79547060   0.18548606
 H   -1.27783251   2.53775565   0.32766666
 H   -0.80067070   1.30147182   1.51880385
 H    2.12519115   0.29201648  -0.53967177
 H    1.47610241   0.18976016   1.11496911
 H    0.83786355  -2.58535442   1.64433638
 H    0.37244056  -3.71727361   0.34368586
 H    1.98380174  -2.95479140   0.32534672
 H    2.16298124   2.66621768  -0.41519892
 H    1.46921147   2.67786272   1.23698914
 H    0.66672859   3.58431479  -0.09126801
 23
 Energy -581.4524189125  Point 13  Step 1.256
 N    0.42610016   1.49541808  -0.23497540
 C    1.18274531   0.26372162   0.02224361
 C   -0.88105799   1.50634651   0.42860533
 C    1.21651263   2.65793232   0.15387098
 Si   0.21636688  -1.32640254  -0.42755134
 C   -1.58580866  -0.94085265   0.04053713
 C   -1.89881130   0.54891972  -0.20820141
 C    0.91866183  -2.77814271   0.57532944
 H    0.33218705  -1.60418359  -1.90383158
 H   -2.29035255  -1.58961553  -0.50790151
 H   -1.71452342  -1.16961721   1.11573869
 H   -1.92241467   0.75835201  -1.29256268
 H   -2.90019718   0.79482567   0.19073555
 H   -1.27596549   2.53385606   0.34580632
 H   -0.79325787   1.28678708   1.52330203
 H    2.12051266   0.29422457  -0.56269704
 H    1.49030372   0.18740135   1.09864434
 H    0.83261981  -2.56649272   1.65416925
 H    0.37225788  -3.71194294   0.36349719
 H    1.98300766  -2.94804340   0.34256375
 H    2.15978482   2.67042981  -0.41650303
 H    1.47628595   2.66807931   1.23991353
 H    0.66484796   3.58465074  -0.07592305
 23
 Energy -581.4522703601  Point 14  Step 1.361
 N    0.42502446   1.49668612  -0.23492329
 C    1.18452082   0.26417648   0.00949428
 C   -0.87870234   1.50152275   0.43541740
 C    1.21676484   2.65678677   0.15831454
 Si   0.21620985  -1.32794336  -0.43057151
 C   -1.58742822  -0.94176053   0.03240478
 C   -1.89894899   0.54987348  -0.20600957
 C    0.91687345  -2.77009085   0.58736615
 H    0.33497120  -1.61864000  -1.90414992
 H   -2.28995145  -1.58643057  -0.52366782
 H   -1.72193862  -1.17891411   1.10491782
 H   -1.92358951   0.76683004  -1.28883276
 H   -2.89950685   0.79416270   0.19594030
 H   -1.27398315   2.52971990   0.36391038
 H   -0.78582675   1.27205637   1.52763624
 H    2.11572246   0.29656575  -0.58578775
 H    1.50434922   0.18522697   1.08214993
 H    0.82723690  -2.54735171   1.66371125
 H    0.37197093  -3.70647608   0.38333654
 H    1.98213572  -2.94127267   0.35988571
 H    2.15661207   2.67455369  -0.41760134
 H    1.48325079   2.65836267   1.24281520
 H    0.66298461   3.58484813  -0.06072564
 23
 Energy -581.4521106608  Point 15  Step 1.467
 N    0.42395419   1.49794056  -0.23487756
 C    1.18616997   0.26469928  -0.00325044
 C   -0.87630625   1.49662949   0.44218109
 C    1.21707610   2.65556249   0.16274675
 Si   0.21606268  -1.32946548  -0.43351176
 C   -1.58912785  -0.94277451   0.02419449
 C   -1.89904540   0.55077868  -0.20376392
 C    0.91507661  -2.76189084   0.59933007
 H    0.33807758  -1.63307463  -1.90420884
 H   -2.28987405  -1.58266395  -0.53957531
 H   -1.72844494  -1.18802686   1.09423873
 H   -1.92477665   0.77533121  -1.28499026
 H   -2.89879312   0.79347464   0.20113813
 H   -1.27194873   2.52541486   0.38203648
 H   -0.77827009   1.25718178   1.53182393
 H    2.11066450   0.29900429  -0.60881226
 H    1.51827930   0.18316854   1.06546557
 H    0.82162142  -2.52844661   1.67310710
 H    0.37156636  -3.70074412   0.40304514
 H    1.98125930  -2.93437960   0.37712831
 H    2.15344138   2.67870131  -0.41863230
 H    1.49019584   2.64863491   1.24558771
 H    0.66131377   3.58489738  -0.04555405
 23
 Energy -581.4519417547  Point 16  Step 1.572
 N    0.42288606   1.49912962  -0.23476157
 C    1.18778028   0.26525283  -0.01600772
 C   -0.87389506   1.49167811   0.44891825
 C    1.21742596   2.65427497   0.16710743
 Si   0.21593324  -1.33093673  -0.43633512
 C   -1.59084830  -0.94376877   0.01592389
 C   -1.89915512   0.55166332  -0.20148843
 C    0.91321008  -2.75362894   0.61122255
 H    0.34133393  -1.64755440  -1.90404377
 H   -2.28951931  -1.57879706  -0.55583859
 H   -1.73513427  -1.19731072   1.08333792
 H   -1.92608277   0.78371572  -1.28107265
 H   -2.89803031   0.79268106   0.20651068
 H   -1.26980849   2.52094533   0.40005328
 H   -0.77075609   1.24237074   1.53585120
 H    2.10532847   0.30144248  -0.63198209
 H    1.53245856   0.18121403   1.04855861
 H    0.81598141  -2.50978896   1.68237258
 H    0.37143494  -3.69497168   0.42220233
 H    1.98034321  -2.92681861   0.39430991
 H    2.15029884   2.68278360  -0.41965571
 H    1.49720468   2.63886995   1.24817383
 H    0.65966941   3.58476686  -0.03042055
 23
 Energy -581.4517628292  Point 17  Step 1.678
 N    0.42180857   1.50027881  -0.23458979
 C    1.18932542   0.26583653  -0.02881236
 C   -0.87145922   1.48666334   0.45558935
 C    1.21780106   2.65291309   0.17149799
 Si   0.21582321  -1.33242002  -0.43909877
 C   -1.59253083  -0.94470250   0.00763971
 C   -1.89925953   0.55251328  -0.19922522
 C    0.91131529  -2.74525383   0.62307004
 H    0.34449711  -1.66186908  -1.90367676
 H   -2.28912435  -1.57502304  -0.57180582
 H   -1.74175013  -1.20646752   1.07235948
 H   -1.92737417   0.79215619  -1.27708508
 H   -2.89725848   0.79179486   0.21190250
 H   -1.26758257   2.51632152   0.41799417
 H   -0.76327382   1.22750743   1.53973191
 H    2.09972534   0.30410954  -0.65520623
 H    1.54643322   0.17933240   1.03142095
 H    0.81020547  -2.49112298   1.69147119
 H    0.37127108  -3.68898221   0.44120762
 H    1.97940148  -2.91908031   0.41126854
 H    2.14708542   2.68680704  -0.42067859
 H    1.50428938   2.62915450   1.25066234
 H    0.65818056   3.58450015  -0.01524962
 23
 Energy -581.4515765481  Point 18  Step 1.783
 N    0.42075679   1.50141277  -0.23437040
 C    1.19079015   0.26648734  -0.04168935
 C   -0.86902213   1.48159958   0.46216719
 C    1.21822134   2.65149102   0.17595560
 Si   0.21568938  -1.33389143  -0.44178824
 C   -1.59420153  -0.94563748  -0.00060241
 C   -1.89932520   0.55328614  -0.19696944
 C    0.90941888  -2.73676415   0.63480239
 H    0.34774502  -1.67618377  -1.90317753
 H   -2.28878135  -1.57099792  -0.58779325
 H   -1.74841719  -1.21551965   1.06132630
 H   -1.92854215   0.80039741  -1.27308872
 H   -2.89645719   0.79085695   0.21719046
 H   -1.26530105   2.51152360   0.43575575
 H   -0.75584194   1.21269035   1.54341239
 H    2.09387319   0.30676924  -0.67848842
 H    1.56049563   0.17752634   1.01403599
 H    0.80490291  -2.47228197   1.70040446
 H    0.37084131  -3.68273779   0.46048037
 H    1.97833150  -2.91152873   0.42806700
 H    2.14392382   2.69079490  -0.42146950
 H    1.51135857   2.61935098   1.25314959
 H    0.65672537   3.58401895  -0.00012312
 23
 Energy -581.4513884734  Point 19  Step 1.888
 N    0.41971988   1.50252788  -0.23411667
 C    1.19225420   0.26718728  -0.05467077
 C   -0.86656061   1.47647841   0.46862223
 C    1.21867971   2.64999435   0.18047138
 Si   0.21556681  -1.33531326  -0.44435715
 C   -1.59590959  -0.94661952  -0.00879785
 C   -1.89936032   0.55395346  -0.19470724
 C    0.90746279  -2.72816831   0.64645186
 H    0.35104305  -1.69050002  -1.90233891
 H   -2.28832901  -1.56687179  -0.60388044
 H   -1.75523727  -1.22471861   1.05021999
 H   -1.92966765   0.80839622  -1.26905513
 H   -2.89561293   0.78986075   0.22247940
 H   -1.26298668   2.50657402   0.45315922
 H   -0.74849642   1.19806964   1.54694180
 H    2.08778079   0.30971699  -0.70191145
 H    1.57456962   0.17578152   0.99630742
 H    0.79947530  -2.45352830   1.70913341
 H    0.37014457  -3.67620643   0.47957854
 H    1.97713141  -2.90374904   0.44431291
 H    2.14075899   2.69484562  -0.42219491
 H    1.51842777   2.60946716   1.25555583
 H    0.65552087   3.58350302   0.01527158
 23
 Energy -581.4511912057  Point 20  Step 1.994
 N    0.41871753   1.50365122  -0.23382497
 C    1.19365130   0.26791586  -0.06771042
 C   -0.86408020   1.47130689   0.47496399
 C    1.21914755   2.64846208   0.18505054
 Si   0.21544270  -1.33668003  -0.44681417
 C   -1.59761561  -0.94761513  -0.01695034
 C   -1.89935348   0.55453168  -0.19246250
 C    0.90544167  -2.71949753   0.65792708
 H    0.35436752  -1.70479407  -1.90129334
 H   -2.28774712  -1.56275496  -0.61992353
 H   -1.76207534  -1.23392345   1.03904673
 H   -1.93075814   0.81626908  -1.26499685
 H   -2.89472366   0.78878452   0.22770260
 H   -1.26059852   2.50146556   0.47031842
 H   -0.74128552   1.18352171   1.55028692
 H    2.08121288   0.31237903  -0.72575524
 H    1.58898749   0.17427596   0.97823004
 H    0.79432229  -2.43482008   1.71768523
 H    0.36935273  -3.66953968   0.49869793
 H    1.97587501  -2.89627702   0.46097714
 H    2.13752794   2.69894151  -0.42281876
 H    1.52559549   2.59952358   1.25791562
 H    0.65440838   3.58291542   0.03081995
 23
 Energy -581.450999075  Point 21  Step 2.099
 N    0.41770248   1.50473601  -0.23343174
 C    1.19491932   0.26875185  -0.08078557
 C   -0.86162807   1.46610716   0.48125241
 C    1.21969376   2.64686193   0.18964694
 Si   0.21538287  -1.33803284  -0.44927697
 C   -1.59926582  -0.94858574  -0.02503877
 C   -1.89932514   0.55505947  -0.19023932
 C    0.90334995  -2.71080222   0.66949271
 H    0.35768537  -1.71889854  -1.90014675
 H   -2.28710374  -1.55856106  -0.63578808
 H   -1.76875203  -1.24292706   1.02791789
 H   -1.93176520   0.82404462  -1.26091350
 H   -2.89384215   0.78764105   0.23284261
 H   -1.25818002   2.49624833   0.48738782
 H   -0.73419816   1.16902924   1.55349439
 H    2.07419370   0.31445429  -0.74988579
 H    1.60337737   0.17270660   0.95979865
 H    0.78896176  -2.41609371   1.72615162
 H    0.36851496  -3.66273730   0.51754372
 H    1.97446664  -2.88797262   0.47663170
 H    2.13444266   2.70287109  -0.42320748
 H    1.53266273   2.58959099   1.26022859
 H    0.65318314   3.58192042   0.04617080
 23
 Energy -581.450788193  Point 22  Step 2.204
 N    0.41664094   1.50574111  -0.23295146
 C    1.19609385   0.26955951  -0.09396963
 C   -0.85920420   1.46091146   0.48747000
 C    1.22029141   2.64507596   0.19424502
 Si   0.21533458  -1.33940440  -0.45164437
 C   -1.60097149  -0.94948318  -0.03305725
 C   -1.89932100   0.55562889  -0.18801985
 C    0.90157349  -2.70192970   0.68067799
 H    0.36049052  -1.73317862  -1.89878908
 H   -2.28654862  -1.55415947  -0.65155427
 H   -1.77579995  -1.25177882   1.01671524
 H   -1.93276847   0.83177271  -1.25680826
 H   -2.89298962   0.78651926   0.23793399
 H   -1.25572286   2.49093582   0.50421283
 H   -0.72719468   1.15470224   1.55659611
 H    2.06723256   0.31790031  -0.77344929
 H    1.61737302   0.17124252   0.94127647
 H    0.78303576  -2.39682784   1.73398425
 H    0.36707419  -3.65528594   0.53645703
 H    1.97345807  -2.88144851   0.49459371
 H    2.13134714   2.70652539  -0.42360290
 H    1.53985264   2.57953192   1.26242459
 H    0.65234779   3.58086852   0.06156589
 23
 Energy -581.4505387874  Point 23  Step 2.308
 N    0.41564615   1.50667566  -0.23245558
 C    1.19725545   0.27031122  -0.10719396
 C   -0.85673633   1.45566508   0.49352072
 C    1.22094001   2.64319741   0.19895118
 Si   0.21506183  -1.34076414  -0.45367929
 C   -1.60282821  -0.95026345  -0.04123715
 C   -1.89932367   0.55623356  -0.18594785
 C    0.90002545  -2.69296732   0.69169111
 H    0.36361872  -1.74792854  -1.89679465
 H   -2.28587853  -1.54945790  -0.66775495
 H   -1.78317983  -1.26063112   1.00520527
 H   -1.93370633   0.83952897  -1.25279509
 H   -2.89212945   0.78549700   0.24284075
 H   -1.25313306   2.48550685   0.52085626
 H   -0.72031115   1.14033032   1.55943612
 H    2.05987358   0.32177214  -0.79715890
 H    1.63166781   0.16973466   0.92236817
 H    0.78031780  -2.37789143   1.74200353
 H    0.36591987  -3.64780201   0.55608513
 H    1.97225187  -2.87452587   0.50998502
 H    2.12828350   2.71036425  -0.42377609
 H    1.54704127   2.56935384   1.26461823
 H    0.65160111   3.57960913   0.07719919
 23
 Energy -581.4503391889  Point 24  Step 2.413
 N    0.41473075   1.50759127  -0.23188515
 C    1.19834349   0.27117087  -0.12058315
 C   -0.85425725   1.45031986   0.49952285
 C    1.22160570   2.64127304   0.20370898
 Si   0.21481482  -1.34208284  -0.45562626
 C   -1.60464338  -0.95104989  -0.04947882
 C   -1.89929776   0.55672818  -0.18389253
 C    0.89821576  -2.68400495   0.70304952
 H    0.36703204  -1.76251276  -1.89457903
 H   -2.28516853  -1.54484201  -0.68381677
 H   -1.79043398  -1.26944103   0.99355090
 H   -1.93453262   0.84719620  -1.24875237
 H   -2.89124643   0.78441821   0.24766796
 H   -1.25046291   2.47990526   0.53729724
 H   -0.71346252   1.12599667   1.56217676
 H    2.05219380   0.32488991  -0.82122006
 H    1.64610001   0.16831807   0.90301533
 H    0.77793400  -2.35958711   1.75038963
 H    0.36524594  -3.64055730   0.57524098
 H    1.97065682  -2.86503054   0.52137887
 H    2.12547077   2.71417987  -0.42351171
 H    1.55387647   2.55931455   1.26689131
 H    0.65108429   3.57829546   0.09261232
 23
 Energy -581.45011238  Point 25  Step 2.518
 N    0.41377216   1.50847766  -0.23115178
 C    1.19938100   0.27210499  -0.13408558
 C   -0.85181814   1.44494191   0.50548082
 C    1.22232448   2.63930919   0.20845392
 Si   0.21468135  -1.34332031  -0.45763997
 C   -1.60634075  -0.95191138  -0.05751783
 C   -1.89926023   0.55708988  -0.18176019
 C    0.89630558  -2.67490800   0.71416878
 H    0.37030478  -1.77672275  -1.89241318
 H   -2.28427044  -1.54015089  -0.69972952
 H   -1.79754265  -1.27822607   0.98204351
 H   -1.93539290   0.85462097  -1.24459913
 H   -2.89032850   0.78312855   0.25263004
 H   -1.24782350   2.47417297   0.55352877
 H   -0.70677234   1.11182023   1.56484092
 H    2.04395879   0.32821179  -0.84568040
 H    1.66092213   0.16695125   0.88306383
 H    0.77330978  -2.34117170   1.75826325
 H    0.36416413  -3.63287462   0.59353382
 H    1.96929292  -2.85680445   0.53657452
 H    2.12279926   2.71719309  -0.42303835
 H    1.56044814   2.54963312   1.26917696
 H    0.65080551   3.57683556   0.10731112
 23
 Energy -581.4498855443  Point 26  Step 2.623
 N    0.41282016   1.50934065  -0.23047101
 C    1.20032537   0.27303796  -0.14756319
 C   -0.84934294   1.43957071   0.51129047
 C    1.22313152   2.63723329   0.21329837
 Si   0.21452755  -1.34454260  -0.45953728
 C   -1.60806230  -0.95278417  -0.06556988
 C   -1.89919736   0.55740039  -0.17961189
 C    0.89445451  -2.66569241   0.72513461
 H    0.37371757  -1.79065738  -1.88999322
 H   -2.28340754  -1.53550114  -0.71545898
 H   -1.80474528  -1.28698433   0.97039491
 H   -1.93638288   0.86190327  -1.24041528
 H   -2.88936268   0.78175723   0.25764603
 H   -1.24516013   2.46835123   0.56953279
 H   -0.70019119   1.09776746   1.56731408
 H    2.03509924   0.33165916  -0.87047029
 H    1.67561779   0.16588636   0.86296718
 H    0.76901422  -2.32252126   1.76590319
 H    0.36291372  -3.62489836   0.61197267
 H    1.96794371  -2.84858381   0.55164524
 H    2.12004531   2.72025917  -0.42255536
 H    1.56727453   2.53961648   1.27140249
 H    0.65047090   3.57513800   0.12235225
 23
 Energy -581.4496584778  Point 27  Step 2.727
 N    0.41193398   1.51017713  -0.22981356
 C    1.20108359   0.27401301  -0.16114361
 C   -0.84686930   1.43418635   0.51696512
 C    1.22398019   2.63503421   0.21824259
 Si   0.21437328  -1.34575577  -0.46131989
 C   -1.60979115  -0.95364106  -0.07352815
 C   -1.89911560   0.55765203  -0.17747686
 C    0.89262678  -2.65634876   0.73598755
 H    0.37701768  -1.80466703  -1.88737613
 H   -2.28240189  -1.53052183  -0.73137794
 H   -1.81198846  -1.29571732   0.95877267
 H   -1.93731915   0.86898394  -1.23621990
 H   -2.88840128   0.78035493   0.26257602
 H   -1.24246346   2.46243627   0.58519174
 H   -0.69363042   1.08387935   1.56961686
 H    2.02601806   0.33497861  -0.89507012
 H    1.69011912   0.16489069   0.84249964
 H    0.76510223  -2.30382118   1.77337142
 H    0.36176276  -3.61680156   0.63046918
 H    1.96655187  -2.84011915   0.56615476
 H    2.11733889   2.72356637  -0.42189051
 H    1.57416442   2.52926030   1.27359475
 H    0.65037277   3.57328843   0.13781584
 23
 Energy -581.449422493  Point 28  Step 2.832
 N    0.41102668   1.51099946  -0.22906589
 C    1.20174190   0.27503968  -0.17486708
 C   -0.84445080   1.42878224   0.52251613
 C    1.22493559   2.63267694   0.22329739
 Si   0.21420219  -1.34692219  -0.46305837
 C   -1.61146983  -0.95446271  -0.08137559
 C   -1.89902744   0.55783601  -0.17544087
 C    0.89081477  -2.64690851   0.74678402
 H    0.38033778  -1.81881329  -1.88449030
 H   -2.28136982  -1.52582942  -0.74670004
 H   -1.81882125  -1.30406616   0.94730571
 H   -1.93817636   0.87589648  -1.23212012
 H   -2.88744043   0.77890937   0.26732641
 H   -1.23977018   2.45643361   0.60065583
 H   -0.68722477   1.07006600   1.57175421
 H    2.01663034   0.33854068  -0.91975367
 H    1.70460679   0.16381207   0.82161123
 H    0.76136009  -2.28523104   1.78080374
 H    0.36056824  -3.60849534   0.64879220
 H    1.96513940  -2.83158844   0.58049425
 H    2.11476711   2.72669518  -0.42097089
 H    1.58104120   2.51881348   1.27583136
 H    0.65046688   3.57128036   0.15338812
 23
 Energy -581.4491916839  Point 29  Step 2.936
 N    0.41013734   1.51178817  -0.22824888
 C    1.20232049   0.27607425  -0.18873208
 C   -0.84205213   1.42337789   0.52794675
 C    1.22595072   2.63020402   0.22844262
 Si   0.21403658  -1.34805243  -0.46471486
 C   -1.61310537  -0.95528026  -0.08913839
 C   -1.89892161   0.55795416  -0.17344936
 C    0.88901610  -2.63735332   0.75749530
 H    0.38357125  -1.83278654  -1.88144888
 H   -2.28055211  -1.52101940  -0.76168687
 H   -1.82575202  -1.31236970   0.93586701
 H   -1.93894698   0.88258710  -1.22806286
 H   -2.88649737   0.77741586   0.27194869
 H   -1.23716192   2.45033599   0.61585845
 H   -0.68107322   1.05637924   1.57376908
 H    2.00686812   0.34217528  -0.94453322
 H    1.71894081   0.16299505   0.80039907
 H    0.75772774  -2.26678967   1.78814016
 H    0.35932778  -3.60000949   0.66696679
 H    1.96372316  -2.82293051   0.59461691
 H    2.11226750   2.72966212  -0.41986858
 H    1.58795296   2.50825414   1.27808515
 H    0.65078000   3.56906898   0.16900866
 23
 Energy -581.4489572336  Point 30  Step 3.041
 N    0.40928137   1.51251411  -0.22733503
 C    1.20276733   0.27715659  -0.20269963
 C   -0.83970555   1.41798327   0.53325687
 C    1.22704604   2.62761258   0.23367896
 Si   0.21385343  -1.34915198  -0.46629297
 C   -1.61472191  -0.95607207  -0.09673713
 C   -1.89883051   0.55802321  -0.17153773
 C    0.88726292  -2.62774782   0.76808841
 H    0.38673157  -1.84661376  -1.87821112
 H   -2.27913131  -1.51637685  -0.77674450
 H   -1.83258170  -1.32048241   0.92451756
 H   -1.93969024   0.88911749  -1.22407853
 H   -2.88557306   0.77590462   0.27641322
 H   -1.23441178   2.44423293   0.63063214
 H   -0.67503681   1.04293354   1.57564696
 H    1.99654036   0.34590254  -0.96960808
 H    1.73347656   0.16206277   0.77863102
 H    0.75396071  -2.24818096   1.79522330
 H    0.35822201  -3.59142355   0.68500004
 H    1.96238339  -2.81401674   0.60877400
 H    2.10987204   2.73246081  -0.41855080
 H    1.59482730   2.49763964   1.28034729
 H    0.65131448   3.56677638   0.18464644
 23
 Energy -581.4487202974  Point 31  Step 3.145
 N    0.40843891   1.51323292  -0.22635797
 C    1.20306632   0.27824798  -0.21674567
 C   -0.83736757   1.41260558   0.53843275
 C    1.22822650   2.62490007   0.23900014
 Si   0.21365897  -1.35024559  -0.46780601
 C   -1.61633814  -0.95682296  -0.10431282
 C   -1.89870982   0.55804876  -0.16967074
 C    0.88559807  -2.61800947   0.77860720
 H    0.38999790  -1.86043313  -1.87478711
 H   -2.27800596  -1.51205768  -0.79100550
 H   -1.83917846  -1.32840067   0.91326877
 H   -1.94040298   0.89550841  -1.22012215
 H   -2.88462447   0.77435437   0.28082942
 H   -1.23179533   2.43806078   0.64521562
 H   -0.66919475   1.02956106   1.57737893
 H    1.98578094   0.34962548  -0.99468992
 H    1.74799238   0.16124727   0.75642354
 H    0.75012534  -2.22969499   1.80218115
 H    0.35706849  -3.58258796   0.70274912
 H    1.96110452  -2.80504518   0.62276826
 H    2.10755875   2.73521593  -0.41707374
 H    1.60179415   2.48686394   1.28260937
 H    0.65197928   3.56420094   0.20044747
 23
 Energy -581.4484834314  Point 32  Step 3.249
 N    0.40766549   1.51384629  -0.22532196
 C    1.20320337   0.27937627  -0.23085444
 C   -0.83508520   1.40725878   0.54351028
 C    1.22947750   2.62205539   0.24438103
 Si   0.21345469  -1.35130328  -0.46923673
 C   -1.61792602  -0.95764080  -0.11182881
 C   -1.89855647   0.55801598  -0.16779311
 C    0.88399590  -2.60816257   0.78901055
 H    0.39322963  -1.87403031  -1.87117248
 H   -2.27739660  -1.50688370  -0.80545181
 H   -1.84589710  -1.33619425   0.90196705
 H   -1.94104130   0.90172138  -1.21616190
 H   -2.88367376   0.77273682   0.28513442
 H   -1.22896391   2.43194617   0.65919792
 H   -0.66360746   1.01659319   1.57907380
 H    1.97450777   0.35335886  -1.01989726
 H    1.76238984   0.16044615   0.73387696
 H    0.74676769  -2.21121158   1.80905256
 H    0.35609267  -3.57364600   0.72056060
 H    1.95987151  -2.79581550   0.63652732
 H    2.10528430   2.73785094  -0.41545686
 H    1.60875548   2.47597098   1.28482987
 H    0.65276961   3.56148860   0.21630019
 23
 Energy -581.4482520359  Point 33  Step 3.353
 N    0.40690368   1.51444917  -0.22424568
 C    1.20322476   0.28050963  -0.24503937
 C   -0.83280791   1.40187802   0.54849077
 C    1.23081528   2.61910547   0.24981951
 Si   0.21321212  -1.35231523  -0.47055823
 C   -1.61952109  -0.95841333  -0.11924808
 C   -1.89839666   0.55792566  -0.16598841
 C    0.88246633  -2.59824147   0.79933456
 H    0.39638880  -1.88749382  -1.86737559
 H   -2.27623042  -1.50199063  -0.81987953
 H   -1.85272288  -1.34410184   0.89064715
 H   -1.94157320   0.90777444  -1.21226197
 H   -2.88272328   0.77115879   0.28932459
 H   -1.22615898   2.42574283   0.67294987
 H   -0.65802406   1.00375638   1.58068007
 H    1.96276350   0.35714148  -1.04516355
 H    1.77674323   0.15974700   0.71086365
 H    0.74336469  -2.19278096   1.81577229
 H    0.35521769  -3.56458152   0.73806476
 H    1.95869082  -2.78637988   0.64980934
 H    2.10317141   2.74035355  -0.41364395
 H    1.61569790   2.46504230   1.28707932
 H    0.65382506   3.55858787   0.23213727
 23
 Energy -581.448016344  Point 34  Step 3.457
 N    0.40618137   1.51503909  -0.22309893
 C    1.20311652   0.28164274  -0.25932427
 C   -0.83052554   1.39651040   0.55330674
 C    1.23224198   2.61603440   0.25536166
 Si   0.21293766  -1.35329903  -0.47177341
 C   -1.62112443  -0.95915656  -0.12656316
 C   -1.89823346   0.55780921  -0.16428804
 C    0.88100031  -2.58822467   0.80947701
 H    0.39955312  -1.90091802  -1.86331170
 H   -2.27507212  -1.49727381  -0.83391029
 H   -1.85935081  -1.35161211   0.87946502
 H   -1.94213285   0.91366619  -1.20848067
 H   -2.88177538   0.76954952   0.29333054
 H   -1.22367985   2.41931413   0.68679163
 H   -0.65266243   0.99084576   1.58204192
 H    1.95051957   0.36091969  -1.07056152
 H    1.79112983   0.15917073   0.68742299
 H    0.74043629  -2.17454768   1.82241555
 H    0.35449540  -3.55542285   0.75558770
 H    1.95758490  -2.77681903   0.66323324
 H    2.10115808   2.74268227  -0.41159861
 H    1.62261020   2.45401488   1.28936024
 H    0.65502362   3.55555841   0.24798085
 23
 Energy -581.4477851298  Point 35  Step 3.560
 N    0.40551188   1.51555094  -0.22184732
 C    1.20284863   0.28279862  -0.27371989
 C   -0.82833713   1.39119717   0.55795469
 C    1.23374871   2.61281606   0.26103117
 Si   0.21267344  -1.35421250  -0.47288860
 C   -1.62273380  -0.95992476  -0.13376793
 C   -1.89808096   0.55763381  -0.16268334
 C    0.87961749  -2.57813531   0.81949655
 H    0.40260267  -1.91440413  -1.85900172
 H   -2.27385316  -1.49255361  -0.84781182
 H   -1.86603037  -1.35894601   0.86843767
 H   -1.94259980   0.91934940  -1.20479949
 H   -2.88085888   0.76797953   0.29719726
 H   -1.22093693   2.41308370   0.70007924
 H   -0.64761071   0.97826497   1.58334443
 H    1.93773350   0.36475581  -1.09603113
 H    1.80538285   0.15849668   0.66344194
 H    0.73886378  -2.15595315   1.82890008
 H    0.35321777  -3.54589238   0.77364952
 H    1.95634316  -2.76783264   0.67563962
 H    2.09930868   2.74485116  -0.40929114
 H    1.62947986   2.44287990   1.29173805
 H    0.65645911   3.55229664   0.26388832
 23
 Energy -581.4475556505  Point 36  Step 3.663
 N    0.40483899   1.51606834  -0.22060094
 C    1.20237755   0.28404393  -0.28818745
 C   -0.82617221   1.38591983   0.56249279
 C    1.23537241   2.60944545   0.26680294
 Si   0.21239469  -1.35513057  -0.47390891
 C   -1.62427300  -0.96067938  -0.14087834
 C   -1.89789079   0.55740367  -0.16113161
 C    0.87836282  -2.56797691   0.82948872
 H    0.40570901  -1.92764021  -1.85454846
 H   -2.27262259  -1.48787681  -0.86141345
 H   -1.87262517  -1.36618566   0.85742762
 H   -1.94306880   0.92484449  -1.20119683
 H   -2.87993078   0.76628545   0.30089230
 H   -1.21830694   2.40678089   0.71302216
 H   -0.64272415   0.96584567   1.58449915
 H    1.92443619   0.36867054  -1.12155508
 H    1.81951662   0.15792995   0.63909680
 H    0.73705386  -2.13725490   1.83521463
 H    0.35165194  -3.53582122   0.79133958
 H    1.95501556  -2.75916184   0.68709227
 H    2.09754438   2.74688966  -0.40677206
 H    1.63638002   2.43147069   1.29411320
 H    0.65808435   3.54888691   0.27999277
 23
 Energy -581.4473300317  Point 37  Step 3.766
 N    0.40420202   1.51656520  -0.21932442
 C    1.20168563   0.28529564  -0.30285803
 C   -0.82403364   1.38066020   0.56690907
 C    1.23709331   2.60591951   0.27267569
 Si   0.21211638  -1.35599870  -0.47486125
 C   -1.62581182  -0.96143052  -0.14780648
 C   -1.89768156   0.55713199  -0.15962607
 C    0.87715288  -2.55776022   0.83933642
 H    0.40889067  -1.94070237  -1.84989275
 H   -2.27142036  -1.48316327  -0.87469363
 H   -1.87902296  -1.37324925   0.84666062
 H   -1.94326400   0.93010408  -1.19766875
 H   -2.87903343   0.76478488   0.30439471
 H   -1.21569395   2.40046298   0.72574569
 H   -0.63787756   0.95360128   1.58558100
 H    1.91078065   0.37254768  -1.14699331
 H    1.83307990   0.15757584   0.61435159
 H    0.73484184  -2.11906453   1.84146276
 H    0.35076492  -3.52608639   0.80850380
 H    1.95402747  -2.74964713   0.69935349
 H    2.09591673   2.74885640  -0.40408344
 H    1.64331697   2.41993093   1.29651757
 H    0.65992946   3.54521695   0.29624322
 23
 Energy -581.4471030906  Point 38  Step 3.869
 N    0.40361003   1.51701737  -0.21794435
 C    1.20093287   0.28662637  -0.31760343
 C   -0.82198786   1.37545986   0.57115453
 C    1.23889421   2.60227015   0.27865674
 Si   0.21177057  -1.35689115  -0.47567196
 C   -1.62724241  -0.96214151  -0.15461632
 C   -1.89748261   0.55682268  -0.15824416
 C    0.87601580  -2.54750374   0.84901984
 H    0.41201014  -1.95312897  -1.84526650
 H   -2.27014548  -1.47862835  -0.88758219
 H   -1.88525789  -1.38003224   0.83600753
 H   -1.94347757   0.93518215  -1.19430241
 H   -2.87810934   0.76316900   0.30777852
 H   -1.21318525   2.39416032   0.73796743
 H   -0.63338402   0.94159447   1.58650478
 H    1.89640871   0.37645852  -1.17278168
 H    1.84715878   0.15744128   0.58891811
 H    0.73260444  -2.10092580   1.84752587
 H    0.35011186  -3.51628026   0.82541828
 H    1.95308711  -2.73987184   0.71146280
 H    2.09436182   2.75059330  -0.40116234
 H    1.65030131   2.40810236   1.29892765
 H    0.66197217   3.54145541   0.31261751
 23
 Energy -581.4468869145  Point 39  Step 3.971
 N    0.40304832   1.51740521  -0.21652123
 C    1.19998169   0.28793982  -0.33236153
 C   -0.82000808   1.37034613   0.57523694
 C    1.24081434   2.59840829   0.28474077
 Si   0.21147141  -1.35767005  -0.47643843
 C   -1.62864246  -0.96289488  -0.16123995
 C   -1.89726673   0.55643157  -0.15694970
 C    0.87489338  -2.53710930   0.85858160
 H    0.41519010  -1.96567933  -1.84034763
 H   -2.26892591  -1.47419738  -0.90008144
 H   -1.89131843  -1.38658383   0.82569640
 H   -1.94392814   0.94004352  -1.19100954
 H   -2.87727934   0.76131614   0.31101608
 H   -1.21073860   2.38794171   0.74984109
 H   -0.62908586   0.92977741   1.58732335
 H    1.88118963   0.38039027  -1.19868616
 H    1.86117009   0.15740100   0.56283542
 H    0.73060960  -2.08293194   1.85352507
 H    0.34936594  -3.50629451   0.84212913
 H    1.95216440  -2.73009722   0.72325811
 H    2.09306566   2.75209058  -0.39799331
 H    1.65716648   2.39609674   1.30141285
 H    0.66430078   3.53740960   0.32897333
 23
 Energy -581.4466697014  Point 40  Step 4.073
 N    0.40254209   1.51777432  -0.21514491
 C    1.19869586   0.28918350  -0.34726490
 C   -0.81802927   1.36522672   0.57917587
 C    1.24287233   2.59433202   0.29096831
 Si   0.21121097  -1.35828003  -0.47718370
 C   -1.63014641  -0.96370523  -0.16761160
 C   -1.89704788   0.55598388  -0.15571727
 C    0.87391332  -2.52663250   0.86807316
 H    0.41812692  -1.97852050  -1.83511003
 H   -2.26771283  -1.46998274  -0.91218654
 H   -1.89736749  -1.39304370   0.81557491
 H   -1.94401483   0.94459597  -1.18788309
 H   -2.87641677   0.75977666   0.31396782
 H   -1.20830872   2.38166749   0.76139301
 H   -0.62478671   0.91817856   1.58799736
 H    1.86573084   0.38431111  -1.22427371
 H    1.87444865   0.15709943   0.53664161
 H    0.72894518  -2.06483859   1.85942120
 H    0.34871036  -3.49608153   0.85872316
 H    1.95130720  -2.72028346   0.73480110
 H    2.09194400   2.75349289  -0.39444006
 H    1.66404518   2.38397597   1.30403454
 H    0.66679806   3.53310756   0.34545455
 23
 Energy -581.4464590361  Point 41  Step 4.175
 N    0.40209603   1.51811439  -0.21369331
 C    1.19726894   0.29052303  -0.36224731
 C   -0.81611779   1.36015341   0.58296512
 C    1.24501984   2.59013745   0.29730636
 Si   0.21086027  -1.35893994  -0.47780076
 C   -1.63158821  -0.96447935  -0.17385652
 C   -1.89681082   0.55552075  -0.15462762
 C    0.87311095  -2.51610247   0.87740718
 H    0.42086743  -1.99065448  -1.82996979
 H   -2.26641671  -1.46574459  -0.92409350
 H   -1.90333019  -1.39923771   0.80570714
 H   -1.94400422   0.94897443  -1.18491975
 H   -2.87562423   0.75823677   0.31667979
 H   -1.20588472   2.37543329   0.77276536
 H   -0.62080620   0.90682306   1.58864135
 H    1.84966328   0.38813961  -1.24993682
 H    1.88764186   0.15706926   0.50981287
 H    0.72762176  -2.04682102   1.86512798
 H    0.34814660  -3.48579663   0.87539262
 H    1.95064987  -2.71045850   0.74603100
 H    2.09099375   2.75466293  -0.39072128
 H    1.67087326   2.37160530   1.30668548
 H    0.66958112   3.52862675   0.36199502
 23
 Energy -581.4462522018  Point 42  Step 4.276
 N    0.40165311   1.51840699  -0.21217739
 C    1.19563727   0.29189361  -0.37732284
 C   -0.81429817   1.35521187   0.58662551
 C    1.24730793   2.58574453   0.30373357
 Si   0.21049778  -1.35954982  -0.47829641
 C   -1.63299843  -0.96527175  -0.17995893
 C   -1.89655112   0.55503478  -0.15364142
 C    0.87244604  -2.50556427   0.88658016
 H    0.42361664  -2.00266022  -1.82462387
 H   -2.26516507  -1.46172747  -0.93558644
 H   -1.90927346  -1.40526856   0.79591709
 H   -1.94383861   0.95313354  -1.18213373
 H   -2.87483147   0.75673304   0.31909664
 H   -1.20351452   2.36932725   0.78367018
 H   -0.61706459   0.89566763   1.58913479
 H    1.83289122   0.39201280  -1.27569910
 H    1.90072740   0.15716713   0.48252354
 H    0.72666803  -2.02880896   1.87071483
 H    0.34765512  -3.47532171   0.89185118
 H    1.95001357  -2.70064191   0.75689913
 H    2.09014902   2.75564218  -0.38679724
 H    1.67774395   2.35909072   1.30936001
 H    0.67257898   3.52399843   0.37871120
 23
 Energy -581.4460504367  Point 43  Step 4.377
 N    0.40128076   1.51865169  -0.21056241
 C    1.19377686   0.29328801  -0.39250421
 C   -0.81257363   1.35036101   0.59012750
 C    1.24968611   2.58119808   0.31028180
 Si   0.21013624  -1.36012578  -0.47870117
 C   -1.63437223  -0.96603524  -0.18581931
 C   -1.89627535   0.55451033  -0.15278556
 C    0.87188401  -2.49499128   0.89557525
 H    0.42623842  -2.01458562  -1.81908428
 H   -2.26371470  -1.45763960  -0.94692732
 H   -1.91516048  -1.41111404   0.78646012
 H   -1.94354549   0.95705080  -1.17952460
 H   -2.87411999   0.75529882   0.32124517
 H   -1.20125492   2.36336862   0.79390893
 H   -0.61364234   0.88491486   1.58962150
 H    1.81545579   0.39582108  -1.30146951
 H    1.91360625   0.15746943   0.45453591
 H    0.72607585  -2.01094388   1.87612892
 H    0.34729733  -3.46486341   0.90816966
 H    1.94954265  -2.69095753   0.76754619
 H    2.08945748   2.75653448  -0.38269594
 H    1.68469690   2.34632775   1.31206014
 H    0.67573347   3.51903196   0.39549053
 23
 Energy -581.4458534791  Point 44  Step 4.477
 N    0.40096462   1.51884083  -0.20887061
 C    1.19170858   0.29468445  -0.40777452
 C   -0.81094597   1.34559534   0.59340005
 C    1.25218277   2.57647133   0.31697183
 Si   0.20977078  -1.36066444  -0.47904611
 C   -1.63567300  -0.96678835  -0.19142192
 C   -1.89603209   0.55398554  -0.15209775
 C    0.87144737  -2.48435694   0.90446129
 H    0.42887425  -2.02633622  -1.81342897
 H   -2.26241955  -1.45386874  -0.95751733
 H   -1.92055453  -1.41640665   0.77749556
 H   -1.94327021   0.96069897  -1.17718271
 H   -2.87342175   0.75387181   0.32313755
 H   -1.19914783   2.35742402   0.80393616
 H   -0.61049157   0.87426571   1.58985803
 H    1.79731167   0.39976685  -1.32727628
 H    1.92633003   0.15762838   0.42609490
 H    0.72565644  -1.99320331   1.88149977
 H    0.34695976  -3.45414191   0.92417761
 H    1.94905744  -2.68111713   0.77761564
 H    2.08895359   2.75717470  -0.37821130
 H    1.69157499   2.33336520   1.31487837
 H    0.67913433   3.51395326   0.41241583
 23
 Energy -581.4456670534  Point 45  Step 4.577
 N    0.40069993   1.51904958  -0.20718609
 C    1.18935141   0.29609836  -0.42301466
 C   -0.80938004   1.34091340   0.59649362
 C    1.25485160   2.57150654   0.32381319
 Si   0.20935767  -1.36116321  -0.47934827
 C   -1.63697393  -0.96755447  -0.19682230
 C   -1.89577478   0.55342061  -0.15155544
 C    0.87119225  -2.47363225   0.91318776
 H    0.43146773  -2.03763157  -1.80779431
 H   -2.26146402  -1.45078921  -0.96715788
 H   -1.92562094  -1.42135618   0.76904005
 H   -1.94286388   0.96405756  -1.17504861
 H   -2.87280409   0.75256112   0.32475412
 H   -1.19709406   2.35155791   0.81361418
 H   -0.60750050   0.86385055   1.58999492
 H    1.77845167   0.40352382  -1.35294729
 H    1.93877429   0.15806681   0.39705671
 H    0.72554145  -1.97541395   1.88662469
 H    0.34694548  -3.44343065   0.94024038
 H    1.94888441  -2.67091740   0.78747739
 H    2.08875961   2.75754509  -0.37346786
 H    1.69843136   2.32006163   1.31780254
 H    0.68293009   3.50855396   0.42943588
 23
 Energy -581.4454799817  Point 46  Step 4.677
 N    0.40047908   1.51918982  -0.20550426
 C    1.18671022   0.29753359  -0.43835157
 C   -0.80786059   1.33639569   0.59945919
 C    1.25766214   2.56628779   0.33072794
 Si   0.20893378  -1.36162226  -0.47961319
 C   -1.63828078  -0.96836400  -0.20195125
 C   -1.89547826   0.55277416  -0.15104708
 C    0.87108136  -2.46278136   0.92176787
 H    0.43396590  -2.04887049  -1.80204587
 H   -2.26042754  -1.44743905  -0.97671308
 H   -1.93070747  -1.42627200   0.76076283
 H   -1.94231305   0.96721760  -1.17303126
 H   -2.87213019   0.75133762   0.32614472
 H   -1.19507851   2.34589242   0.82281309
 H   -0.60476759   0.85402115   1.59019055
 H    1.75931928   0.40728830  -1.37831373
 H    1.95058729   0.15850825   0.36790547
 H    0.72486498  -1.95793391   1.89173075
 H    0.34778734  -3.43286527   0.95551494
 H    1.94894808  -2.65993168   0.79764034
 H    2.08873244   2.75764694  -0.36845161
 H    1.70524676   2.30650392   1.32076596
 H    0.68692789   3.50294562   0.44656175
 23
 Energy -581.4453034155  Point 47  Step 4.775
 N    0.40027864   1.51931226  -0.20383106
 C    1.18383496   0.29899056  -0.45377839
 C   -0.80640952   1.33201796   0.60224515
 C    1.26058920   2.56085931   0.33777709
 Si   0.20852156  -1.36203473  -0.47978867
 C   -1.63954986  -0.96919850  -0.20687013
 C   -1.89518696   0.55212355  -0.15061106
 C    0.87112355  -2.45190323   0.93019159
 H    0.43653103  -2.05994848  -1.79613385
 H   -2.25943705  -1.44427703  -0.98586323
 H   -1.93565572  -1.43098061   0.75289948
 H   -1.94176250   0.97011900  -1.17113807
 H   -2.87154750   0.75009818   0.32743634
 H   -1.19318441   2.34038997   0.83143493
 H   -0.60212031   0.84461887   1.59034413
 H    1.73966095   0.41112448  -1.40351494
 H    1.96183582   0.15900988   0.33829737
 H    0.72393706  -1.94080263   1.89666375
 H    0.34876901  -3.42232437   0.97032227
 H    1.94926541  -2.64877369   0.80767802
 H    2.08897507   2.75756422  -0.36317794
 H    1.71198301   2.29258631   1.32382929
 H    0.69121738   3.49699904   0.46370704
 23
 Energy -581.4451287598  Point 48  Step 4.874
 N    0.40015772   1.51938780  -0.20208600
 C    1.18068313   0.30045980  -0.46921154
 C   -0.80508476   1.32778941   0.60483658
 C    1.26364838   2.55524747   0.34492626
 Si   0.20811480  -1.36239987  -0.47985826
 C   -1.64077267  -0.97003523  -0.21160942
 C   -1.89490530   0.55147714  -0.15031971
 C    0.87135655  -2.44110345   0.93845293
 H    0.43887378  -2.07048815  -1.79029709
 H   -2.25872316  -1.44137182  -0.99438716
 H   -1.94033547  -1.43530292   0.74530763
 H   -1.94121832   0.97282506  -1.16948681
 H   -2.87094310   0.74892261   0.32847849
 H   -1.19141591   2.33508343   0.83958483
 H   -0.59993313   0.83545064   1.59033655
 H    1.71891623   0.41480060  -1.42882603
 H    1.97317643   0.15990383   0.30799517
 H    0.72376760  -1.92365494   1.90151069
 H    0.34972756  -3.41159752   0.98507567
 H    1.94959029  -2.63794519   0.81716607
 H    2.08943279   2.75717991  -0.35756058
 H    1.71861700   2.27851582   1.32696455
 H    0.69570556   3.49093983   0.48100432
 23
 Energy -581.4449641993  Point 49  Step 4.971
 N    0.40007766   1.51945305  -0.20037778
 C    1.17726250   0.30194685  -0.48467544
 C   -0.80381891   1.32368018   0.60726671
 C    1.26682021   2.54941594   0.35218385
 Si   0.20767054  -1.36270056  -0.47980954
 C   -1.64199373  -0.97085818  -0.21601984
 C   -1.89460742   0.55082455  -0.15016644
 C    0.87180142  -2.43031743   0.94646491
 H    0.44117508  -2.08085497  -1.78429431
 H   -2.25746270  -1.43846120  -1.00294003
 H   -1.94536431  -1.43959417   0.73802872
 H   -1.94044467   0.97522803  -1.16806470
 H   -2.87045866   0.74786840   0.32919975
 H   -1.18969126   2.32992825   0.84725616
 H   -0.59791591   0.82669603   1.59035729
 H    1.69760981   0.41846734  -1.45389466
 H    1.98399796   0.16070129   0.27715849
 H    0.72361457  -1.90674630   1.90606864
 H    0.35112961  -3.40105721   0.99966062
 H    1.95028098  -2.62691396   0.82657072
 H    2.09010903   2.75664449  -0.35175472
 H    1.72527238   2.26411716   1.33016355
 H    0.70045791   3.48450036   0.49834158
 23
 Energy -581.4447992086  Point 50  Step 5.068
 N    0.40004958   1.51949821  -0.19863488
 C    1.17359823   0.30347774  -0.50014674
 C   -0.80268571   1.31963564   0.60948389
 C    1.27011475   2.54336530   0.35957559
 Si   0.20719884  -1.36295681  -0.47969598
 C   -1.64320109  -0.97167617  -0.22005131
 C   -1.89429715   0.55019998  -0.15028774
 C    0.87239879  -2.41949714   0.95429894
 H    0.44354274  -2.09108020  -1.77816192
 H   -2.25648431  -1.43601953  -1.01055910
 H   -1.94962293  -1.44323053   0.73151552
 H   -1.93934793   0.97731924  -1.16709401
 H   -2.87003338   0.74711645   0.32923963
 H   -1.18804458   2.32480196   0.85482701
 H   -0.59599012   0.81799363   1.59007813
 H    1.67562403   0.42175674  -1.47884728
 H    1.99457249   0.16188464   0.24598189
 H    0.72401914  -1.89015090   1.91072328
 H    0.35285509  -3.39046715   1.01371156
 H    1.95097742  -2.61584537   0.83522457
 H    2.09091248   2.75593007  -0.34561788
 H    1.73194195   2.24944662   1.33339168
 H    0.70539561   3.47788745   0.51605032
 23
 Energy -581.4446528422  Point 51  Step 5.163
 N    0.40006651   1.51954068  -0.19693296
 C    1.16964738   0.30503441  -0.51567739
 C   -0.80156877   1.31576179   0.61150279
 C    1.27351287   2.53706449   0.36714647
 Si   0.20672997  -1.36314464  -0.47949670
 C   -1.64432100  -0.97246700  -0.22389697
 C   -1.89402502   0.54955026  -0.15053348
 C    0.87323778  -2.40874663   0.96193522
 H    0.44562323  -2.10085467  -1.77208509
 H   -2.25613088  -1.43427424  -1.01703830
 H   -1.95363501  -1.44644706   0.72562111
 H   -1.93834162   0.97919340  -1.16628932
 H   -2.86968850   0.74638180   0.32920452
 H   -1.18651040   2.31985767   0.86204025
 H   -0.59449395   0.80930739   1.58962504
 H    1.65302283   0.42544849  -1.50348674
 H    2.00442010   0.16308698   0.21436169
 H    0.72488187  -1.87339649   1.91495598
 H    0.35425860  -3.37965137   1.02790539
 H    1.95194755  -2.60507039   0.84357151
 H    2.09251080   2.75423025  -0.33877411
 H    1.73783233   2.23477048   1.33722081
 H    0.71083148   3.47115887   0.53297850
 23
 Energy -581.444507863  Point 52  Step 5.259
 N    0.40011870   1.51960184  -0.19534889
 C    1.16537822   0.30661915  -0.53113229
 C   -0.80056873   1.31211430   0.61332047
 C    1.27708393   2.53049294   0.37482980
 Si   0.20626506  -1.36329580  -0.47927073
 C   -1.64548020  -0.97335124  -0.22746298
 C   -1.89371557   0.54886972  -0.15074002
 C    0.87427563  -2.39799784   0.96936776
 H    0.44748369  -2.11032382  -1.76610869
 H   -2.25525963  -1.43247210  -1.02368074
 H   -1.95753863  -1.44973224   0.71980689
 H   -1.93737191   0.98081596  -1.16556820
 H   -2.86925079   0.74572957   0.32910962
 H   -1.18519150   2.31515905   0.86864203
 H   -0.59293780   0.80137553   1.58913587
 H    1.62988430   0.42860992  -1.52785204
 H    2.01386851   0.16460447   0.18257858
 H    0.72566091  -1.85661963   1.91914736
 H    0.35617417  -3.36882308   1.04206201
 H    1.95299449  -2.59392077   0.85191214
 H    2.09455736   2.75211560  -0.33141773
 H    1.74323340   2.21965619   1.34129938
 H    0.71661144   3.46437824   0.54976975
 23
 Energy -581.4443681555  Point 53  Step 5.353
 N    0.40018934   1.51967078  -0.19380426
 C    1.16088600   0.30820726  -0.54657380
 C   -0.79958817   1.30862330   0.61496122
 C    1.28066881   2.52370891   0.38263526
 Si   0.20582105  -1.36345080  -0.47900819
 C   -1.64655844  -0.97420525  -0.23066769
 C   -1.89340321   0.54821024  -0.15115071
 C    0.87536824  -2.38718820   0.97671764
 H    0.44939536  -2.11951424  -1.76010820
 H   -2.25464133  -1.43086761  -1.02959214
 H   -1.96132007  -1.45279599   0.71466646
 H   -1.93608607   0.98211552  -1.16516238
 H   -2.86900501   0.74526438   0.32854277
 H   -1.18385615   2.31066880   0.87481453
 H   -0.59161046   0.79390146   1.58871308
 H    1.60635716   0.43213635  -1.55176874
 H    2.02269047   0.16629282   0.15036499
 H    0.72694071  -1.84052487   1.92324032
 H    0.35838549  -3.35831152   1.05530544
 H    1.95431464  -2.58291089   0.85956513
 H    2.09655681   2.75007207  -0.32397215
 H    1.74896791   2.20407805   1.34522076
 H    0.72245344   3.45704951   0.56716674
 23
 Energy -581.4442342379  Point 54  Step 5.446
 N    0.40037491   1.51962351  -0.19208885
 C    1.15613316   0.30979380  -0.56195168
 C   -0.79890992   1.30536526   0.61641157
 C    1.28440709   2.51669650   0.39048095
 Si   0.20543133  -1.36352109  -0.47865236
 C   -1.64753763  -0.97501817  -0.23355859
 C   -1.89310059   0.54757463  -0.15176461
 C    0.87669475  -2.37656044   0.98374712
 H    0.45113125  -2.12834596  -1.75417811
 H   -2.25403770  -1.42955887  -1.03485581
 H   -1.96496412  -1.45502963   0.71005300
 H   -1.93485623   0.98319454  -1.16511407
 H   -2.86871202   0.74466853   0.32768876
 H   -1.18290673   2.30649285   0.88032035
 H   -0.59095186   0.78683538   1.58817770
 H    1.58154167   0.43501620  -1.57574967
 H    2.03157443   0.16814352   0.11741968
 H    0.72839084  -1.82430382   1.92709925
 H    0.36051587  -3.34750753   1.06857032
 H    1.95561173  -2.57219973   0.86703269
 H    2.09864525   2.74778082  -0.31642426
 H    1.75468923   2.18858975   1.34922686
 H    0.72841420   3.44959128   0.58444834
 23
 Energy -581.4441025585  Point 55  Step 5.538
 N    0.40058555   1.51943779  -0.19029056
 C    1.15108102   0.31143620  -0.57720528
 C   -0.79826567   1.30239563   0.61765115
 C    1.28833595   2.50941823   0.39835064
 Si   0.20503743  -1.36354281  -0.47832550
 C   -1.64851746  -0.97588931  -0.23624039
 C   -1.89287291   0.54689699  -0.15242282
 C    0.87822102  -2.36580780   0.99059157
 H    0.45272397  -2.13717405  -1.74816135
 H   -2.25378433  -1.42863065  -1.03950131
 H   -1.96797640  -1.45734142   0.70603311
 H   -1.93364622   0.98396938  -1.16517223
 H   -2.86862548   0.74430433   0.32666948
 H   -1.18190880   2.30272566   0.88517882
 H   -0.59055773   0.78054167   1.58782418
 H    1.55624234   0.43785780  -1.59911623
 H    2.03951424   0.17009518   0.08447356
 H    0.72968257  -1.80845997   1.93081016
 H    0.36335900  -3.33703355   1.08141142
 H    1.95740204  -2.56084561   0.87451737
 H    2.10111838   2.74517665  -0.30874642
 H    1.76036900   2.17257191   1.35320980
 H    0.73470568   3.44166579   0.60164471
 23
 Energy -581.4439848356  Point 56  Step 5.630
 N    0.40075716   1.51945887  -0.18877620
 C    1.14569919   0.31305305  -0.59241007
 C   -0.79774553   1.29942027   0.61881748
 C    1.29244421   2.50181451   0.40632887
 Si   0.20457626  -1.36353684  -0.47793203
 C   -1.64950820  -0.97678259  -0.23861954
 C   -1.89251248   0.54623434  -0.15318244
 C    0.88002321  -2.35507551   0.99724954
 H    0.45403852  -2.14570948  -1.74222146
 H   -2.25354292  -1.42772552  -1.04378740
 H   -1.97115840  -1.45927598   0.70225325
 H   -1.93219424   0.98464101  -1.16543370
 H   -2.86837688   0.74404384   0.32536517
 H   -1.18124681   2.29885274   0.89005755
 H   -0.58999204   0.77421931   1.58720996
 H    1.53149506   0.44156493  -1.62169229
 H    2.04670382   0.17222192   0.05175584
 H    0.73115971  -1.79250214   1.93435578
 H    0.36649770  -3.32636360   1.09405837
 H    1.95934940  -2.54934243   0.88180925
 H    2.10416130   2.74167962  -0.30050254
 H    1.76558440   2.15624536   1.35746360
 H    0.74161859   3.43386262   0.61865520
 23
 Energy -581.4438708469  Point 57  Step 5.720
 N    0.40104199   1.51949878  -0.18747684
 C    1.14011738   0.31467657  -0.60745397
 C   -0.79739742   1.29673794   0.61965990
 C    1.29656323   2.49395800   0.41451441
 Si   0.20413509  -1.36353331  -0.47751133
 C   -1.65045493  -0.97762492  -0.24068091
 C   -1.89221472   0.54561977  -0.15398262
 C    0.88201420  -2.34435791   1.00374799
 H    0.45562570  -2.15358087  -1.73653136
 H   -2.25330098  -1.42718932  -1.04750040
 H   -1.97400231  -1.46102832   0.69915154
 H   -1.93119357   0.98515601  -1.16574878
 H   -2.86815065   0.74383525   0.32427509
 H   -1.18036768   2.29546570   0.89433359
 H   -0.58933849   0.76798078   1.58618454
 H    1.50591308   0.44431024  -1.64392832
 H    2.05316278   0.17441749   0.01884043
 H    0.73338764  -1.77664637   1.93770020
 H    0.36983182  -3.31583203   1.10668460
 H    1.96150535  -2.53805245   0.88826452
 H    2.10780603   2.73777706  -0.29156383
 H    1.77015130   2.13937937   1.36215339
 H    0.74869291   3.42565117   0.63560143
 23
 Energy -581.4437619521  Point 58  Step 5.809
 N    0.40131540   1.51948235  -0.18618713
 C    1.13426575   0.31636721  -0.62247133
 C   -0.79679781   1.29446332   0.62012435
 C    1.30068954   2.48577576   0.42287778
 Si   0.20375345  -1.36343046  -0.47695763
 C   -1.65135897  -0.97846297  -0.24243317
 C   -1.89215940   0.54500524  -0.15488836
 C    0.88423986  -2.33396412   1.00996426
 H    0.45708082  -2.16141435  -1.73062803
 H   -2.25330318  -1.42691979  -1.05053031
 H   -1.97640800  -1.46253660   0.69643635
 H   -1.93022439   0.98509421  -1.16649596
 H   -2.86819194   0.74381604   0.32281459
 H   -1.17980743   2.29237143   0.89785035
 H   -0.58927858   0.76323026   1.58542640
 H    1.47945270   0.44709949  -1.66598389
 H    2.05951245   0.17700974  -0.01461594
 H    0.73563099  -1.76151825   1.94105451
 H    0.37365080  -3.30558560   1.11864656
 H    1.96381582  -2.52666809   0.89433510
 H    2.11145870   2.73364014  -0.28222478
 H    1.77446540   2.12215526   1.36696693
 H    0.75570963   3.41714698   0.65286834
 23
 Energy -581.4436629294  Point 59  Step 5.898
 N    0.40159703   1.51947424  -0.18483026
 C    1.12816676   0.31812135  -0.63743201
 C   -0.79660761   1.29236391   0.62054709
 C    1.30500580   2.47738711   0.43118050
 Si   0.20341824  -1.36325852  -0.47629377
 C   -1.65216458  -0.97932365  -0.24384444
 C   -1.89194993   0.54440944  -0.15599760
 C    0.88662328  -2.32371191   1.01591051
 H    0.45799010  -2.16900493  -1.72477895
 H   -2.25292740  -1.42682121  -1.05336415
 H   -1.97918559  -1.46380468   0.69420322
 H   -1.92892287   0.98492087  -1.16745138
 H   -2.86825509   0.74388601   0.32089836
 H   -1.17929830   2.28968822   0.90093049
 H   -0.58953631   0.75855752   1.58463873
 H    1.45230268   0.44985020  -1.68762692
 H    2.06518570   0.18028279  -0.04851782
 H    0.73786523  -1.74697167   1.94424105
 H    0.37746382  -3.29557023   1.12980370
 H    1.96642552  -2.51559793   0.90041658
 H    2.11536544   2.72921881  -0.27302591
 H    1.77903198   2.10458445   1.37157993
 H    0.76316521   3.40828809   0.67009821
 23
 Energy -581.4435681345  Point 60  Step 5.985
 N    0.40197302   1.51944454  -0.18348509
 C    1.12178258   0.31981714  -0.65218269
 C   -0.79651528   1.29054584   0.62076845
 C    1.30936157   2.46875431   0.43955591
 Si   0.20311848  -1.36312598  -0.47565384
 C   -1.65291339  -0.98013934  -0.24503064
 C   -1.89176756   0.54381794  -0.15716217
 C    0.88915107  -2.31343522   1.02165258
 H    0.45897577  -2.17629677  -1.71910063
 H   -2.25272934  -1.42702057  -1.05556209
 H   -1.98136845  -1.46471751   0.69236763
 H   -1.92762534   0.98461907  -1.16859380
 H   -2.86828799   0.74403675   0.31884780
 H   -1.17930619   2.28724620   0.90340435
 H   -0.59002776   0.75454970   1.58382475
 H    1.42473307   0.45259213  -1.70868008
 H    2.07047195   0.18335716  -0.08249952
 H    0.74133743  -1.73182523   1.94709256
 H    0.38107106  -3.28509689   1.14152030
 H    1.96884073  -2.50529575   0.90571108
 H    2.11945695   2.72443096  -0.26346102
 H    1.78329983   2.08695533   1.37635416
 H    0.77065469   3.39932763   0.68721500
 23
 Energy -581.443479269  Point 61  Step 6.071
 N    0.40232277   1.51948248  -0.18231950
 C    1.11516723   0.32157729  -0.66674077
 C   -0.79649962   1.28884899   0.62081790
 C    1.31377819   2.45986641   0.44802593
 Si   0.20278624  -1.36293279  -0.47492787
 C   -1.65365344  -0.98092191  -0.24595105
 C   -1.89156212   0.54332013  -0.15849855
 C    0.89201460  -2.30338039   1.02718396
 H    0.45985994  -2.18308351  -1.71357560
 H   -2.25270043  -1.42749294  -1.05723659
 H   -1.98346554  -1.46529122   0.69115432
 H   -1.92639178   0.98406371  -1.16996250
 H   -2.86840715   0.74433061   0.31654922
 H   -1.17904963   2.28508680   0.90555808
 H   -0.59060571   0.75084541   1.58298952
 H    1.39667962   0.45503603  -1.72911491
 H    2.07493495   0.18681411  -0.11653693
 H    0.74557323  -1.71679835   1.94963493
 H    0.38448197  -3.27462432   1.15348390
 H    1.97160668  -2.49528381   0.91001259
 H    2.12398959   2.71918356  -0.25354908
 H    1.78717824   2.06873352   1.38127054
 H    0.77847184   3.39003004   0.70427369
 23
 Energy -581.443392558  Point 62  Step 6.156
 N    0.40266174   1.51954346  -0.18118556
 C    1.10828748   0.32337258  -0.68116643
 C   -0.79653373   1.28725294   0.62077570
 C    1.31831078   2.45068058   0.45641551
 Si   0.20248926  -1.36266039  -0.47409168
 C   -1.65439987  -0.98160710  -0.24665952
 C   -1.89140955   0.54290567  -0.15996581
 C    0.89508603  -2.29349437   1.03246389
 H    0.46041300  -2.18973825  -1.70800989
 H   -2.25282770  -1.42808918  -1.05844120
 H   -1.98526020  -1.46538683   0.69026341
 H   -1.92493270   0.98346493  -1.17159601
 H   -2.86857384   0.74486764   0.31389298
 H   -1.17919509   2.28278211   0.90796741
 H   -0.59114703   0.74689348   1.58179127
 H    1.36814473   0.45738363  -1.74914456
 H    2.07894942   0.19082508  -0.15064757
 H    0.74908531  -1.70260731   1.95225906
 H    0.38914931  -3.26476460   1.16439839
 H    1.97470651  -2.48456081   0.91476519
 H    2.12858224   2.71364232  -0.24363305
 H    1.79103746   2.05029242   1.38605936
 H    0.78644151   3.38049329   0.72140853
 23
 Energy -581.4433181677  Point 63  Step 6.240
 N    0.40299491   1.51965665  -0.18022435
 C    1.10119115   0.32518338  -0.69536935
 C   -0.79672259   1.28601390   0.62047677
 C    1.32290050   2.44121533   0.46493068
 Si   0.20221009  -1.36239340  -0.47324760
 C   -1.65506496  -0.98228863  -0.24691542
 C   -1.89129835   0.54254417  -0.16155899
 C    0.89841262  -2.28369922   1.03751647
 H    0.46038717  -2.19609386  -1.70272415
 H   -2.25286281  -1.42898143  -1.05905830
 H   -1.98705556  -1.46533337   0.69006104
 H   -1.92363386   0.98256718  -1.17345005
 H   -2.86887075   0.74549418   0.31106056
 H   -1.17896999   2.28112256   0.90979364
 H   -0.59190668   0.74329195   1.58038706
 H    1.33951149   0.45968835  -1.76838870
 H    2.08217317   0.19478707  -0.18474114
 H    0.75242575  -1.68909856   1.95482995
 H    0.39426965  -3.25530451   1.17439562
 H    1.97826953  -2.47349172   0.91940205
 H    2.13359206   2.70757173  -0.23336718
 H    1.79475651   2.03135106   1.39090989
 H    0.79471622   3.37059945   0.73851081
 23
 Energy -581.4432455985  Point 64  Step 6.322
 N    0.40330930   1.51993503  -0.17936359
 C    1.09384952   0.32707032  -0.70935408
 C   -0.79706467   1.28517419   0.61994011
 C    1.32759704   2.43146106   0.47350038
 Si   0.20200939  -1.36210641  -0.47234737
 C   -1.65564658  -0.98298306  -0.24689898
 C   -1.89116922   0.54212500  -0.16318194
 C    0.90184320  -2.27426620   1.04226738
 H    0.46077647  -2.20200834  -1.69754038
 H   -2.25312677  -1.43020028  -1.05898103
 H   -1.98827769  -1.46488310   0.69035017
 H   -1.92230539   0.98135032  -1.17550335
 H   -2.86910982   0.74615265   0.30809203
 H   -1.17972990   2.27976245   0.91070622
 H   -0.59306638   0.74081781   1.57913463
 H    1.31037251   0.46188460  -1.78710455
 H    2.08490568   0.19924647  -0.21871583
 H    0.75682189  -1.67535450   1.95694361
 H    0.39913989  -3.24574030   1.18478323
 H    1.98163668  -2.46342235   0.92305370
 H    2.13903176   2.70080205  -0.22267198
 H    1.79771672   2.01183940   1.39596898
 H    0.80334773   3.36067704   0.75551223
 23
 Energy -581.4431841822  Point 65  Step 6.403
 N    0.40366542   1.51996408  -0.17849788
 C    1.08645665   0.32890541  -0.72311997
 C   -0.79767042   1.28469394   0.61915225
 C    1.33216158   2.42138606   0.48210362
 Si   0.20196248  -1.36179480  -0.47148563
 C   -1.65601483  -0.98349847  -0.24647994
 C   -1.89122719   0.54189451  -0.16489811
 C    0.90542081  -2.26494202   1.04680399
 H    0.46100117  -2.20770225  -1.69252393
 H   -2.25300890  -1.43147423  -1.05851440
 H   -1.98948450  -1.46426432   0.69112840
 H   -1.92140864   0.98006360  -1.17770445
 H   -2.86958286   0.74681584   0.30513581
 H   -1.17999412   2.27917663   0.91090073
 H   -0.59473535   0.73909437   1.57795926
 H    1.28098708   0.46407550  -1.80507919
 H    2.08706123   0.20393525  -0.25279154
 H    0.76139518  -1.66204120   1.95892430
 H    0.40358014  -3.23618665   1.19462129
 H    1.98517269  -2.45401306   0.92664908
 H    2.14430983   2.69407308  -0.21195639
 H    1.80087897   1.99196519   1.40078466
 H    0.81168832   3.35001044   0.77275688
 23
 Energy -581.4431181409  Point 66  Step 6.483
 N    0.40402828   1.52018076  -0.17799230
 C    1.07891478   0.33074669  -0.73666798
 C   -0.79813854   1.28415973   0.61833218
 C    1.33671707   2.41110972   0.49076540
 Si   0.20183432  -1.36133340  -0.47057207
 C   -1.65649871  -0.98419276  -0.24608116
 C   -1.89119996   0.54152555  -0.16648931
 C    0.90902749  -2.25567861   1.05118154
 H    0.46145024  -2.21323228  -1.68738637
 H   -2.25365616  -1.43315842  -1.05741989
 H   -1.98976894  -1.46325767   0.69239135
 H   -1.92040484   0.97866855  -1.17980734
 H   -2.86989873   0.74744042   0.30231287
 H   -1.17918921   2.27905022   0.91048284
 H   -0.59573691   0.73766480   1.57680136
 H    1.25132038   0.46607207  -1.82253843
 H    2.08894648   0.20916430  -0.28698790
 H    0.76569705  -1.64914963   1.96102524
 H    0.40917798  -3.22708629   1.20411115
 H    1.98882011  -2.44345510   0.92977872
 H    2.15076986   2.68561784  -0.20019912
 H    1.80190257   1.97239960   1.40687062
 H    0.82058720   3.34008689   0.78841677
 23
 Energy -581.4430663745  Point 67  Step 6.563
 N    0.40424842   1.52102487  -0.17778976
 C    1.07082143   0.33292927  -0.75023235
 C   -0.79825792   1.28360954   0.61740590
 C    1.34129068   2.40085023   0.49944365
 Si   0.20178643  -1.36100802  -0.46952812
 C   -1.65689363  -0.98470344  -0.24531085
 C   -1.89098464   0.54127040  -0.16823919
 C    0.91286204  -2.24694487   1.05542465
 H    0.46112015  -2.21849630  -1.68254472
 H   -2.25351378  -1.43462149  -1.05655268
 H   -1.99110030  -1.46236686   0.69358423
 H   -1.91903883   0.97721982  -1.18210978
 H   -2.87008147   0.74846805   0.29915781
 H   -1.18081753   2.27705911   0.91269905
 H   -0.59575738   0.73488006   1.57470994
 H    1.22099521   0.46789413  -1.83949586
 H    2.08942822   0.21451641  -0.32091392
 H    0.77018155  -1.63714091   1.96310337
 H    0.41399733  -3.21825430   1.21284901
 H    1.99259492  -2.43452911   0.93325717
 H    2.15836707   2.67567725  -0.18779614
 H    1.80168589   1.95295318   1.41353182
 H    0.83004261   3.33062505   0.80284180
 23
 Energy -581.4430209608  Point 68  Step 6.639
 N    0.40447289   1.52164057  -0.17755906
 C    1.06275952   0.33517867  -0.76353947
 C   -0.79899077   1.28365174   0.61612757
 C    1.34586030   2.39017423   0.50789972
 Si   0.20210635  -1.36012848  -0.46782155
 C   -1.65711434  -0.98510838  -0.24485125
 C   -1.89123162   0.54111209  -0.16997786
 C    0.91671984  -2.23962361   1.05916110
 H    0.46140776  -2.22277942  -1.67729062
 H   -2.25323472  -1.43630976  -1.05575335
 H   -1.99170609  -1.46126330   0.69462342
 H   -1.91895769   0.97587779  -1.18438700
 H   -2.87054763   0.74911270   0.29653052
 H   -1.18149257   2.27671502   0.91307859
 H   -0.59683041   0.73353504   1.57276484
 H    1.18904690   0.46924545  -1.85612530
 H    2.09047537   0.22148738  -0.35640577
 H    0.77638062  -1.62698394   1.96527992
 H    0.41846183  -3.21049487   1.22096701
 H    1.99611575  -2.42740242   0.93459643
 H    2.16482520   2.66684735  -0.17623082
 H    1.80286089   1.93252923   1.41884786
 H    0.83921528   3.32008432   0.81882319
 23
 Energy -581.4429759976  Point 69  Step 6.709
 N    0.40493698   1.52189908  -0.17717321
 C    1.05516256   0.33688296  -0.77556802
 C   -0.80012160   1.28455270   0.61437098
 C    1.35041378   2.37935923   0.51641592
 Si   0.20198743  -1.35955160  -0.46679688
 C   -1.65748339  -0.98562991  -0.24304387
 C   -1.89126250   0.54087351  -0.17218385
 C    0.92106404  -2.23162740   1.06218955
 H    0.46038299  -2.22717007  -1.67259166
 H   -2.25499526  -1.43931796  -1.05149961
 H   -1.99036648  -1.45865514   0.69866026
 H   -1.91761781   0.97319934  -1.18768530
 H   -2.87122975   0.75047973   0.29227515
 H   -1.18312315   2.27789333   0.90984236
 H   -0.59944619   0.73489933   1.57165403
 H    1.16015065   0.47070597  -1.87053180
 H    2.09042580   0.22703765  -0.38842041
 H    0.78220241  -1.61547354   1.96607068
 H    0.42524090  -3.20284097   1.22924347
 H    2.00058577  -2.41768773   0.93542713
 H    2.17153843   2.65764439  -0.16446324
 H    1.80369648   1.91218016   1.42441620
 H    0.84818129   3.30924177   0.83445609
 23
 Energy -581.4429417883  Point 70  Step 6.780
 N    0.40544637   1.52227707  -0.17672749
 C    1.04715506   0.33848175  -0.78731474
 C   -0.80119828   1.28553395   0.61258410
 C    1.35495608   2.36837379   0.52505602
 Si   0.20158629  -1.35963114  -0.46644767
 C   -1.65773932  -0.98595382  -0.23998359
 C   -1.89102843   0.54088332  -0.17474698
 C    0.92601752  -2.22260115   1.06524871
 H    0.45859067  -2.23194694  -1.66965597
 H   -2.25572979  -1.44215933  -1.04672922
 H   -1.99044638  -1.45568389   0.70338033
 H   -1.91505884   0.97013014  -1.19166169
 H   -2.87190660   0.75242768   0.28676395
 H   -1.18444303   2.27891545   0.90780803
 H   -0.60191124   0.73584860   1.57018316
 H    1.13229516   0.47249448  -1.88409282
 H    2.08920112   0.23171719  -0.41906205
 H    0.78610079  -1.60341232   1.96692498
 H    0.43264933  -3.19433949   1.23670239
 H    2.00578729  -2.40671197   0.93844494
 H    2.17865329   2.64767832  -0.15221455
 H    1.80389189   1.89189360   1.43039684
 H    0.85740694   3.29859301   0.84967475
 23
 Energy -581.4429067603  Point 71  Step 6.854
 N    0.40578566   1.52276566  -0.17658101
 C    1.03880310   0.34041975  -0.79958122
 C   -0.80220297   1.28633875   0.61098595
 C    1.35961369   2.35680846   0.53361516
 Si   0.20160884  -1.35913332  -0.46538581
 C   -1.65793598  -0.98624961  -0.23820056
 C   -1.89106890   0.54084339  -0.17683910
 C    0.93068046  -2.21424762   1.06845048
 H    0.45768623  -2.23647663  -1.66518913
 H   -2.25634978  -1.44451182  -1.04348309
 H   -1.99026910  -1.45338979   0.70662241
 H   -1.91398588   0.96791133  -1.19470431
 H   -2.87251207   0.75369464   0.28286601
 H   -1.18562918   2.27975396   0.90607891
 H   -0.60379953   0.73633056   1.56864620
 H    1.10137988   0.47396995  -1.89803614
 H    2.08792541   0.23795922  -0.45246905
 H    0.79154722  -1.59223067   1.96822347
 H    0.43952673  -3.18634561   1.24430864
 H    2.01052801  -2.39692127   0.93992635
 H    2.18604687   2.63684620  -0.13999112
 H    1.80384272   1.87052517   1.43607811
 H    0.86705575   3.28725733   0.86511389
 23
 Energy -581.4428794474  Point 72  Step 6.928
 N    0.40605570   1.52338054  -0.17651802
 C    1.03030132   0.34246175  -0.81162165
 C   -0.80323861   1.28721424   0.60924771
 C    1.36421529   2.34499796   0.54217009
 Si   0.20171682  -1.35860910  -0.46433111
 C   -1.65806621  -0.98648317  -0.23619147
 C   -1.89112463   0.54086079  -0.17903959
 C    0.93543385  -2.20609911   1.07148951
 H    0.45655990  -2.24071906  -1.66100185
 H   -2.25688986  -1.44703308  -1.03987023
 H   -1.98986188  -1.45077795   0.71017970
 H   -1.91271800   0.96553738  -1.19796439
 H   -2.87317456   0.75510124   0.27865047
 H   -1.18685849   2.28051223   0.90473940
 H   -0.60565894   0.73658250   1.56677428
 H    1.07097094   0.47564306  -1.91129434
 H    2.08612914   0.24468404  -0.48545583
 H    0.79834129  -1.58043538   1.96904242
 H    0.44506166  -3.17762477   1.25266746
 H    2.01494197  -2.38910054   0.94095259
 H    2.19325655   2.62599652  -0.12774638
 H    1.80380784   1.84871952   1.44146128
 H    0.87671410   3.27558283   0.88090693
 23
 Energy -581.4428565167  Point 73  Step 7.001
 N    0.40640605   1.52392443  -0.17638995
 C    1.02169271   0.34451433  -0.82348850
 C   -0.80432637   1.28823479   0.60748918
 C    1.36874224   2.33311370   0.55058486
 Si   0.20193143  -1.35802822  -0.46326761
 C   -1.65807459  -0.98664605  -0.23409612
 C   -1.89120061   0.54091074  -0.18121105
 C    0.94012033  -2.19820144   1.07437625
 H    0.45569887  -2.24469253  -1.65687723
 H   -2.25759385  -1.44967551  -1.03585568
 H   -1.98900452  -1.44789950   0.71409121
 H   -1.91178981   0.96323931  -1.20114229
 H   -2.87381988   0.75639571   0.27465110
 H   -1.18818762   2.28148800   0.90300318
 H   -0.60765072   0.73727800   1.56507719
 H    1.03924995   0.47704086  -1.92396298
 H    2.08394437   0.25183131  -0.51922510
 H    0.80406041  -1.56957410   1.96995184
 H    0.45154940  -3.16981852   1.26004675
 H    2.01961663  -2.38015584   0.94213842
 H    2.20098531   2.61398062  -0.11536733
 H    1.80290243   1.82745825   1.44730002
 H    0.88657228   3.26425921   0.89539752
 23
 Energy -581.4428382142  Point 74  Step 7.075
 N    0.40661862   1.52463400  -0.17652698
 C    1.01293217   0.34670531  -0.83520396
 C   -0.80542611   1.28945097   0.60571905
 C    1.37333707   2.32074887   0.55892200
 Si   0.20232052  -1.35735745  -0.46230732
 C   -1.65795383  -0.98687541  -0.23197000
 C   -1.89134037   0.54086794  -0.18306441
 C    0.94463725  -2.19027973   1.07728302
 H    0.45512592  -2.24852837  -1.65286049
 H   -2.25802224  -1.45215373  -1.03200806
 H   -1.98796706  -1.44548472   0.71779050
 H   -1.91126814   0.96086482  -1.20400058
 H   -2.87442296   0.75740908   0.27122705
 H   -1.18955371   2.28268169   0.90117984
 H   -0.60932300   0.73836315   1.56338641
 H    1.00781095   0.47849305  -1.93603275
 H    2.08114525   0.25944028  -0.55258108
 H    0.80789327  -1.55965669   1.97133831
 H    0.45879525  -3.16264239   1.26618116
 H    2.02442870  -2.36984560   0.94435551
 H    2.20898247   2.60098141  -0.10293671
 H    1.80130681   1.80550475   1.45320728
 H    0.89695213   3.25276555   0.90958884
 23
 Energy -581.4428271114  Point 75  Step 7.145
 N    0.40681500   1.52551877  -0.17680538
 C    1.00408634   0.34885269  -0.84641727
 C   -0.80683756   1.29128949   0.60350377
 C    1.37794000   2.30806863   0.56728442
 Si   0.20267425  -1.35673750  -0.46124229
 C   -1.65775329  -0.98692105  -0.22915012
 C   -1.89152109   0.54097655  -0.18524823
 C    0.94965497  -2.18293051   1.07968352
 H    0.45352241  -2.25189571  -1.64928676
 H   -2.25854571  -1.45495374  -1.02705512
 H   -1.98682196  -1.44244759   0.72246505
 H   -1.91056544   0.95798210  -1.20744327
 H   -2.87522229   0.75880411   0.26705976
 H   -1.19136379   2.28462784   0.89826370
 H   -0.61164557   0.74050776   1.56157746
 H    0.97657906   0.47969065  -1.94715154
 H    2.07767802   0.26713646  -0.58523847
 H    0.81155459  -1.55060658   1.97229889
 H    0.46722562  -3.15646916   1.27129105
 H    2.02991154  -2.35932847   0.94628638
 H    2.21667746   2.58866075  -0.09045539
 H    1.80051414   1.78218910   1.45795954
 H    0.90715015   3.24000348   0.92564133
 23
 Energy -581.4428172005  Point 76  Step 7.212
 N    0.40713312   1.52628328  -0.17711127
 C    0.99552408   0.35082097  -0.85704173
 C   -0.80842080   1.29343401   0.60093466
 C    1.38217314   2.29530718   0.57580093
 Si   0.20285175  -1.35613876  -0.46018467
 C   -1.65768077  -0.98681089  -0.22581461
 C   -1.89172572   0.54125104  -0.18782031
 C    0.95524235  -2.17584755   1.08154797
 H    0.45147628  -2.25523635  -1.64582999
 H   -2.25957654  -1.45829480  -1.02087334
 H   -1.98528824  -1.43819020   0.72823839
 H   -1.90936367   0.95477273  -1.21146419
 H   -2.87614087   0.76076187   0.26205866
 H   -1.19329225   2.28705053   0.89451939
 H   -0.61446508   0.74343573   1.55974989
 H    0.94674555   0.48107173  -1.95720851
 H    2.07387397   0.27444604  -0.61642902
 H    0.82100745  -1.53963690   1.97196829
 H    0.47288915  -3.14823977   1.27917056
 H    2.03481990  -2.35359814   0.94467377
 H    2.22553127   2.57381433  -0.07684840
 H    1.79691715   1.76002219   1.46458346
 H    0.91759453   3.22848833   0.93910296
 23
 Energy -581.4428145629  Point 77  Step 7.283
 N    0.40735117   1.52677226  -0.17733626
 C    0.98715763   0.35277492  -0.86747097
 C   -0.80956409   1.29473199   0.59920231
 C    1.38649793   2.28263812   0.58350672
 Si   0.20314525  -1.35543403  -0.45936196
 C   -1.65762000  -0.98682508  -0.22394141
 C   -1.89203831   0.54135272  -0.18948738
 C    0.96006871  -2.16767969   1.08411184
 H    0.45050289  -2.25894617  -1.64199809
 H   -2.25985376  -1.46033705  -1.01754868
 H   -1.98465603  -1.43584769   0.73141149
 H   -1.90932034   0.95277904  -1.21399436
 H   -2.87681609   0.76168417   0.25915795
 H   -1.19453834   2.28845474   0.89248986
 H   -0.61619421   0.74471065   1.55813291
 H    0.91771359   0.48255143  -1.96667294
 H    2.06969880   0.28150421  -0.64676253
 H    0.82758796  -1.52794485   1.97223095
 H    0.47912850  -3.13971260   1.28696300
 H    2.03945966  -2.34502858   0.94524563
 H    2.23309097   2.56030214  -0.06524519
 H    1.79530894   1.73769302   1.46918750
 H    0.92768137   3.21621704   0.95310508
 23
 Energy -581.4428030673  Point 78  Step 7.357
 N    0.40755792   1.52720697  -0.17753054
 C    0.97850009   0.35475406  -0.87800557
 C   -0.81074925   1.29616058   0.59753213
 C    1.39102308   2.26943862   0.59101791
 Si   0.20356837  -1.35469635  -0.45849848
 C   -1.65746459  -0.98678184  -0.22219205
 C   -1.89242123   0.54149334  -0.19093453
 C    0.96482536  -2.15927589   1.08676058
 H    0.44926622  -2.26290093  -1.63793701
 H   -2.25967485  -1.46203138  -1.01475924
 H   -1.98419461  -1.43389332   0.73415794
 H   -1.90970605   0.95098852  -1.21622221
 H   -2.87746207   0.76251602   0.25673762
 H   -1.19576831   2.29003883   0.89044010
 H   -0.61795979   0.74634445   1.55668894
 H    0.88771111   0.48400318  -1.97579988
 H    2.06501751   0.28914579  -0.67801831
 H    0.82923001  -1.51818129   1.97341056
 H    0.48899216  -3.13334304   1.29181826
 H    2.04507885  -2.33127015   0.94789199
 H    2.23978343   2.54816838  -0.05442225
 H    1.79575327   1.71401105   1.47206876
 H    0.93745890   3.20223581   0.96905256
 23
 Energy -581.4428125596  Point 79  Step 7.422
 N    0.40779124   1.52818502  -0.17813521
 C    0.96991361   0.35691510  -0.88792733
 C   -0.81250880   1.29869222   0.59472251
 C    1.39497567   2.25597148   0.59936479
 Si   0.20400570  -1.35391176  -0.45754502
 C   -1.65712163  -0.98653326  -0.21836048
 C   -1.89267653   0.54183675  -0.19350237
 C    0.97037876  -2.15267910   1.08825486
 H    0.44706026  -2.26576559  -1.63482265
 H   -2.26104284  -1.46557713  -1.00739274
 H   -1.98182195  -1.42897612   0.74083991
 H   -1.90884875   0.94755165  -1.22032901
 H   -2.87848804   0.76423471   0.25177320
 H   -1.19766706   2.29293807   0.88640150
 H   -0.62059116   0.74962275   1.55452294
 H    0.85801614   0.48525532  -1.98394901
 H    2.05994199   0.29723787  -0.70846276
 H    0.83861026  -1.50819620   1.97298877
 H    0.49427989  -3.12549763   1.29866977
 H    2.04992086  -2.32650177   0.94619752
 H    2.24892756   2.53134650  -0.04057876
 H    1.79047862   1.69126198   1.47876404
 H    0.94828709   3.19033957   0.98170173
 23
 Energy -581.4428190661  Point 80  Step 7.486
 N    0.40796334   1.52911478  -0.17857846
 C    0.96111665   0.35909906  -0.89764802
 C   -0.81420017   1.30129591   0.59222864
 C    1.39897008   2.24281394   0.60700647
 Si   0.20471335  -1.35313707  -0.45628479
 C   -1.65654443  -0.98604021  -0.21555709
 C   -1.89313771   0.54229142  -0.19550316
 C    0.97568161  -2.14679328   1.08982809
 H    0.44549120  -2.26846326  -1.63144150
 H   -2.26108928  -1.46812557  -1.00228441
 H   -1.98016430  -1.42522829   0.74551397
 H   -1.90963842   0.94534288  -1.22339752
 H   -2.87928853   0.76535482   0.24860783
 H   -1.19987239   2.29586180   0.88233235
 H   -0.62338214   0.75326540   1.55282261
 H    0.82714300   0.48612872  -1.99148903
 H    2.05441114   0.30603635  -0.73971894
 H    0.84569420  -1.50024568   1.97329353
 H    0.50085916  -3.11947694   1.30381605
 H    2.05496136  -2.32017625   0.94530936
 H    2.25678863   2.51656949  -0.02843460
 H    1.78747135   1.66856635   1.48337547
 H    0.95837906   3.17766523   0.99524379
 23
 Energy -581.4428318867  Point 81  Step 7.556
 N    0.40807677   1.52975057  -0.17877945
 C    0.95226003   0.36122704  -0.90717096
 C   -0.81574720   1.30358909   0.59031840
 C    1.40338689   2.22904827   0.61421330
 Si   0.20527331  -1.35233079  -0.45558374
 C   -1.65617913  -0.98593557  -0.21302793
 C   -1.89348215   0.54241649  -0.19715780
 C    0.98071076  -2.13907037   1.09181635
 H    0.44459471  -2.27164434  -1.62800518
 H   -2.26116874  -1.47038245  -0.99795124
 H   -1.97880572  -1.42256123   0.74954962
 H   -1.90930381   0.94272719  -1.22612476
 H   -2.88019170   0.76625237   0.24533983
 H   -1.20219562   2.29840600   0.87870437
 H   -0.62596090   0.75665396   1.55172317
 H    0.79800796   0.48768581  -1.99847165
 H    2.04818338   0.31387876  -0.76930602
 H    0.84974598  -1.49069888   1.97377534
 H    0.50921938  -3.11271602   1.30882909
 H    2.06035674  -2.30949588   0.94647739
 H    2.26400468   2.50208032  -0.01771332
 H    1.78630135   1.64453916   1.48625903
 H    0.96896059   3.16363481   1.00997097
 23
 Energy -581.4428284229  Point 82  Step 7.624
 N    0.40820688   1.53031017  -0.17921413
 C    0.94438549   0.36321450  -0.91611030
 C   -0.81752352   1.30552469   0.58793122
 C    1.40729636   2.21491530   0.62180754
 Si   0.20563234  -1.35132144  -0.45494089
 C   -1.65592653  -0.98566732  -0.21010115
 C   -1.89397860   0.54267452  -0.19940850
 C    0.98603742  -2.13098756   1.09354892
 H    0.44258511  -2.27504906  -1.62442811
 H   -2.26168183  -1.47324343  -0.99254290
 H   -1.97717490  -1.41891823   0.75444645
 H   -1.90894465   0.93993497  -1.22959549
 H   -2.88131086   0.76758969   0.24110364
 H   -1.20389061   2.30060675   0.87563967
 H   -0.62876921   0.75903406   1.54974457
 H    0.77193191   0.48940551  -2.00474896
 H    2.04234542   0.32119613  -0.79606006
 H    0.86322964  -1.47669166   1.97225985
 H    0.51119562  -3.10100463   1.31939831
 H    2.06398561  -2.30774408   0.94331357
 H    2.27076849   2.48801444  -0.00621061
 H    1.78488081   1.61972144   1.48893442
 H    0.97863314   3.14868212   1.02570255
 23
 Energy -581.4428362607  Point 83  Step 7.738
 N    0.40906904   1.52877532  -0.17998103
 C    0.93450273   0.36392924  -0.92857310
 C   -0.81946420   1.30716278   0.58458032
 C    1.41368590   2.19101751   0.63321015
 Si   0.20355479  -1.35024468  -0.45510829
 C   -1.65771246  -0.98497999  -0.20605382
 C   -1.89538139   0.54357037  -0.20268083
 C    0.99696073  -2.11095866   1.09642232
 H    0.43677045  -2.28286238  -1.61833645
 H   -2.26515240  -1.47697806  -0.98441443
 H   -1.97657659  -1.41280529   0.76170380
 H   -1.90883748   0.93656284  -1.23448849
 H   -2.88300801   0.77080488   0.23590606
 H   -1.20453977   2.30296069   0.87166908
 H   -0.63296312   0.76068034   1.54678116
 H    0.74774660   0.49329860  -2.01432250
 H    2.03375584   0.32291483  -0.82259815
 H    0.87221445  -1.44791834   1.96834033
 H    0.53292935  -3.08300830   1.33518522
 H    2.07593203  -2.27750527   0.94198219
 H    2.28230261   2.46256745   0.01172419
 H    1.78129740   1.57954957   1.49325793
 H    0.99440537   3.12379832   1.04897678
 23
 Energy -581.4428449215  Point 84  Step 7.869
 N    0.41003690   1.52960933  -0.18006205
 C    0.91884036   0.36725444  -0.94498063
 C   -0.82274014   1.31210208   0.58060352
 C    1.42153927   2.16401356   0.64646983
 Si   0.20368408  -1.34941449  -0.45494100
 C   -1.65744355  -0.98489958  -0.19993804
 C   -1.89549109   0.54359696  -0.20580512
 C    1.00684532  -2.09384551   1.09941182
 H    0.43469364  -2.29047325  -1.61188917
 H   -2.26763261  -1.48070343  -0.97381037
 H   -1.97313091  -1.40711721   0.77129162
 H   -1.90660855   0.93034377  -1.24003925
 H   -2.88453082   0.77320924   0.22829381
 H   -1.20941681   2.30885829   0.86266306
 H   -0.63829294   0.76991251   1.54544021
 H    0.70065892   0.49851394  -2.02445642
 H    2.02048742   0.33468539  -0.86912247
 H    0.87756889  -1.42671128   1.96753689
 H    0.55367211  -3.06912832   1.34530162
 H    2.08740205  -2.24909632   0.94422504
 H    2.29625736   2.43269326   0.03229833
 H    1.77672325   1.53436487   1.49859976
 H    1.01378001   3.09609061   1.07512647
 23
 Energy -581.4428522434  Point 85  Step 7.923
 N    0.41030845   1.53028773  -0.17991501
 C    0.91108633   0.36947236  -0.95234945
 C   -0.82453892   1.31509165   0.57863807
 C    1.42481228   2.15242667   0.65200348
 Si   0.20482990  -1.34861188  -0.45442963
 C   -1.65643180  -0.98473394  -0.19695195
 C   -1.89558988   0.54359161  -0.20695661
 C    1.01040559  -2.08921487   1.10038394
 H    0.43438903  -2.29246707  -1.60945825
 H   -2.26772272  -1.48236341  -0.96882239
 H   -1.97067367  -1.40448522   0.77579494
 H   -1.90624137   0.92751298  -1.24229005
 H   -2.88551814   0.77384764   0.22479220
 H   -1.21209204   2.31255594   0.85724414
 H   -0.64138728   0.77552174   1.54509869
 H    0.67327422   0.49987544  -2.02785680
 H    2.01380314   0.34369047  -0.89588157
 H    0.87882656  -1.42302825   1.96886738
 H    0.56037792  -3.06610865   1.34578233
 H    2.09155528  -2.24131217   0.94611524
 H    2.30232977   2.41919370   0.04096696
 H    1.77404557   1.51546215   1.50117378
 H    1.02249112   3.08468376   1.08548358
 23
 Energy -581.4428591159  Point 86  Step 7.964
 N    0.41024725   1.53061777  -0.17996527
 C    0.90446412   0.37154976  -0.95843276
 C   -0.82622724   1.31808869   0.57680931
 C    1.42701072   2.14251580   0.65650342
 Si   0.20646756  -1.34745804  -0.45349459
 C   -1.65503265  -0.98405480  -0.19447860
 C   -1.89600285   0.54407947  -0.20795321
 C    1.01341090  -2.08723222   1.10090027
 H    0.43350759  -2.29325940  -1.60751632
 H   -2.26688116  -1.48399582  -0.96442588
 H   -1.96810280  -1.40134475   0.77969833
 H   -1.90719131   0.92571551  -1.24417404
 H   -2.88654556   0.77445932   0.22232635
 H   -1.21397270   2.31635196   0.85244925
 H   -0.64461944   0.78053457   1.54465494
 H    0.64703612   0.49966583  -2.02992040
 H    2.00785949   0.35312566  -0.92204428
 H    0.88028963  -1.42332426   1.97085153
 H    0.56445580  -3.06532575   1.34394351
 H    2.09474802  -2.23877828   0.94737112
 H    2.30720859   2.40691053   0.04831198
 H    1.77055090   1.49984498   1.50371939
 H    1.02960215   3.07536173   1.09331863
 23
 Energy -581.4428655846  Point 87  Step 8.039
 N    0.41024216   1.53191274  -0.18147161
 C    0.89471787   0.37434560  -0.96765613
 C   -0.82887393   1.32206464   0.57249047
 C    1.43091112   2.12327315   0.66537260
 Si   0.20774737  -1.34551990  -0.45180032
 C   -1.65392743  -0.98243255  -0.19021839
 C   -1.89788143   0.54533802  -0.21073970
 C    1.02101116  -2.08073326   1.10155493
 H    0.42930395  -2.29494582  -1.60406961
 H   -2.26667375  -1.48899169  -0.95508323
 H   -1.96406457  -1.39398094   0.78740887
 H   -1.91199406   0.92327447  -1.24819345
 H   -2.88784288   0.77524701   0.22108492
 H   -1.21598573   2.32083780   0.84719412
 H   -0.64888365   0.78478289   1.54081021
 H    0.61306678   0.49973579  -2.03352333
 H    1.99842236   0.36430763  -0.95634582
 H    0.89240959  -1.41375062   1.96974982
 H    0.57071693  -3.05705213   1.34947568
 H    2.10107431  -2.23564021   0.94281916
 H    2.31741731   2.38158505   0.06384179
 H    1.76192531   1.46843848   1.50829486
 H    1.04331137   3.05692790   1.10914564
 23
 Energy -581.4428396904  Point 88  Step 8.103
 N    0.41120252   1.53208231  -0.18186930
 C    0.88649897   0.37585991  -0.97538692
 C   -0.83250070   1.32791191   0.56716885
 C    1.43453326   2.10479566   0.67454213
 Si   0.20713560  -1.34444892  -0.45101903
 C   -1.65384035  -0.98116323  -0.18264807
 C   -1.89843516   0.54609022  -0.21505330
 C    1.03009261  -2.07280933   1.10047344
 H    0.42288120  -2.29792366  -1.60115242
 H   -2.26954718  -1.49447146  -0.94062675
 H   -1.95940866  -1.38407169   0.80000004
 H   -1.90964077   0.91660633  -1.25522860
 H   -2.88995254   0.77878063   0.21178081
 H   -1.22058070   2.32822518   0.83520981
 H   -0.65645206   0.79517029   1.53851383
 H    0.58972525   0.50187778  -2.03704937
 H    1.99011822   0.36977209  -0.97972166
 H    0.90632277  -1.40224217   1.96657363
 H    0.58237962  -3.04853312   1.35531258
 H    2.10932441  -2.22709146   0.93562759
 H    2.32627331   2.35940906   0.07920507
 H    1.75506618   1.43880507   1.51278918
 H    1.05473283   3.03821208   1.12548108
 23
 Energy -581.4428512008  Point 89  Step 8.121
 N    0.41213226   1.53267995  -0.18246788
 C    0.88188070   0.37638466  -0.97896893
 C   -0.83667208   1.33539281   0.56050587
 C    1.43541312   2.09305680   0.68205465
 Si   0.20677600  -1.34427082  -0.44998344
 C   -1.65282658  -0.97885277  -0.17313295
 C   -1.89917923   0.54775512  -0.22021774
 C    1.03796422  -2.07294487   1.09692652
 H    0.41512721  -2.29807068  -1.60129031
 H   -2.27367505  -1.50116280  -0.92071974
 H   -1.95144016  -1.37073709   0.81614264
 H   -1.90788499   0.90949706  -1.26351929
 H   -2.89217526   0.78306029   0.20167555
 H   -1.22495941   2.33800069   0.81960842
 H   -0.66636717   0.80931806   1.53653633
 H    0.57571064   0.50208472  -2.03795087
 H    1.98530551   0.37323899  -0.99282424
 H    0.92057480  -1.40140538   1.96317673
 H    0.59072006  -3.04790602   1.35540653
 H    2.11591715  -2.22877583   0.92528448
 H    2.33288138   2.34241473   0.09315258
 H    1.74489159   1.42075693   1.51946485
 H    1.06095678   3.02767332   1.13501597
 23
 Energy -581.4428346127  Point 90  Step 8.128
 N    0.41317282   1.53350659  -0.18303640
 C    0.87788774   0.37687002  -0.98158095
 C   -0.84108885   1.34359967   0.55324957
 C    1.43592747   2.08244948   0.68933197
 Si   0.20612401  -1.34402617  -0.44872789
 C   -1.65188013  -0.97653615  -0.16255276
 C   -1.89956907   0.54913327  -0.22580529
 C    1.04592953  -2.07499948   1.09239158
 H    0.40676895  -2.29740212  -1.60184716
 H   -2.27781746  -1.50827166  -0.89920382
 H   -1.94318753  -1.35613851   0.83369628
 H   -1.90467085   0.90100810  -1.27251608
 H   -2.89445406   0.78762905   0.18985599
 H   -1.23027850   2.34848679   0.80227555
 H   -0.67672319   0.82499321   1.53420677
 H    0.56400629   0.50197504  -2.03834313
 H    1.98107988   0.37593398  -1.00341031
 H    0.93410807  -1.40429833   1.96006368
 H    0.59990377  -3.05006469   1.35256664
 H    2.12280204  -2.23095930   0.91410189
 H    2.33909009   2.32600951   0.10672410
 H    1.73450265   1.40510968   1.52664905
 H    1.06669391   3.01894823   1.14267638
 23
 Energy -581.442811837  Point 91  Step 8.130
 N    0.41425941   1.53443557  -0.18371189
 C    0.87446225   0.37722315  -0.98361939
 C   -0.84558710   1.35218303   0.54558572
 C    1.43597227   2.07255552   0.69651634
 Si   0.20540530  -1.34385829  -0.44734736
 C   -1.65087678  -0.97404016  -0.15173917
 C   -1.89991909   0.55047567  -0.23144859
 C    1.05384808  -2.07802437   1.08748670
 H    0.39792010  -2.29647912  -1.60258097
 H   -2.28193584  -1.51518589  -0.87707217
 H   -1.93471644  -1.34098325   0.85145402
 H   -1.90145345   0.89217080  -1.28156731
 H   -2.89663733   0.79221766   0.17795068
 H   -1.23582772   2.35933073   0.78375289
 H   -0.68739803   0.84172336   1.53171337
 H    0.55479923   0.50196656  -2.03867286
 H    1.97745509   0.37768633  -1.01172737
 H    0.94954092  -1.40838361   1.95690508
 H    0.60783318  -3.05265640   1.34931309
 H    2.12908054  -2.23593423   0.90124252
 H    2.34477668   2.31059566   0.12042585
 H    1.72366681   1.39038899   1.53375428
 H    1.07138998   3.01062973   1.15036535
 23
 Energy -581.4427835196  Point 92  Step 8.130
 N    0.41537576   1.53536226  -0.18440325
 C    0.87129245   0.37742239  -0.98528354
 C   -0.85006735   1.36094734   0.53776294
 C    1.43577780   2.06309188   0.70352544
 Si   0.20460491  -1.34374791  -0.44588134
 C   -1.64977959  -0.97135820  -0.14078969
 C   -1.90021406   0.55182332  -0.23704965
 C    1.06178367  -2.08166910   1.08226168
 H    0.38884314  -2.29512689  -1.60359637
 H   -2.28592199  -1.52186083  -0.85457130
 H   -1.92615618  -1.32547257   0.86908778
 H   -1.89831313   0.88325441  -1.29045630
 H   -2.89875068   0.79654442   0.16616383
 H   -1.24129992   2.37038476   0.76471233
 H   -0.69814915   0.85902480   1.52915449
 H    0.54574636   0.50148898  -2.03857965
 H    1.97403171   0.37941691  -1.01969294
 H    0.96316248  -1.41384256   1.95376052
 H    0.61712494  -3.05672057   1.34476649
 H    2.13581042  -2.23936826   0.88895538
 H    2.35030140   2.29491505   0.13399122
 H    1.71221044   1.37675096   1.54119824
 H    1.07599838   3.00311823   1.15717624
 23
 Energy -581.4427405218  Point 93  Step 8.128
 N    0.41663642   1.53597617  -0.18490435
 C    0.86874737   0.37736967  -0.98650557
 C   -0.85464090   1.36990203   0.52958887
 C    1.43524344   2.05419362   0.71053628
 Si   0.20373840  -1.34365601  -0.44460173
 C   -1.64850907  -0.96868367  -0.12973471
 C   -1.90058089   0.55300978  -0.24255718
 C    1.06946045  -2.08541676   1.07691560
 H    0.37935206  -2.29383586  -1.60474519
 H   -2.28979294  -1.52824799  -0.83178513
 H   -1.91697526  -1.30958281   0.88686211
 H   -1.89555931   0.87402602  -1.29921359
 H   -2.90084108   0.80057410   0.15469628
 H   -1.24679773   2.38166393   0.74460942
 H   -0.70947148   0.87718561   1.52647889
 H    0.53821787   0.50082073  -2.03829578
 H    1.97123484   0.38046989  -1.02610975
 H    0.97864604  -1.41832662   1.94982318
 H    0.62462579  -3.05978389   1.34158162
 H    2.14168760  -2.24525132   0.87555917
 H    2.35541033   2.27956320   0.14753637
 H    1.70051253   1.36441750   1.54903789
 H    1.07996289   2.99632815   1.16336611
 23
 Energy -581.4427036979  Point 94  Step 8.126
 N    0.41794932   1.53632064  -0.18521196
 C    0.86652309   0.37728718  -0.98771580
 C   -0.85933418   1.37915637   0.52124025
 C    1.43448255   2.04544881   0.71763133
 Si   0.20291028  -1.34385848  -0.44351004
 C   -1.64717809  -0.96583609  -0.11858017
 C   -1.90089104   0.55410570  -0.24784583
 C    1.07689469  -2.08891765   1.07148383
 H    0.36982923  -2.29322420  -1.60571869
 H   -2.29355647  -1.53427750  -0.80874574
 H   -1.90779278  -1.29395249   0.90425977
 H   -1.89299583   0.86456101  -1.30764401
 H   -2.90285762   0.80420072   0.14353656
 H   -1.25253486   2.39342197   0.72260702
 H   -0.72146180   0.89696689   1.52414029
 H    0.53327571   0.50134218  -2.03853540
 H    1.96886752   0.38094980  -1.03067916
 H    0.99426919  -1.42229184   1.94557970
 H    0.63125155  -3.06227029   1.33852090
 H    2.14718980  -2.25174127   0.86234101
 H    2.36000761   2.26507807   0.16115465
 H    1.68911396   1.35237668   1.55677103
 H    1.08318297   2.98937263   1.16985539
 23
 Energy -581.442652104  Point 95  Step 8.123
 N    0.41920541   1.53696261  -0.18574177
 C    0.86442817   0.37721642  -0.98868829
 C   -0.86387394   1.38826584   0.51271181
 C    1.43350162   2.03679982   0.72468825
 Si   0.20207232  -1.34392327  -0.44227883
 C   -1.64567271  -0.96279829  -0.10741648
 C   -1.90121539   0.55516752  -0.25312360
 C    1.08425635  -2.09297731   1.06596295
 H    0.36005404  -2.29203889  -1.60684769
 H   -2.29705335  -1.54017529  -0.78536537
 H   -1.89847310  -1.27825376   0.92139850
 H   -1.89057068   0.85493626  -1.31600059
 H   -2.90478216   0.80789313   0.13251402
 H   -1.25801659   2.40469778   0.70124662
 H   -0.73295794   0.91607091   1.52113072
 H    0.52768698   0.50114871  -2.03836900
 H    1.96657598   0.38173031  -1.03554068
 H    1.00959598  -1.42711048   1.94134700
 H    0.63804652  -3.06549970   1.33510418
 H    2.15258166  -2.25845793   0.84904573
 H    2.36439661   2.25056276   0.17491750
 H    1.67728765   1.34032083   1.56424465
 H    1.08626347   2.98245207   1.17644663
 23
 Energy -581.442593878  Point 96  Step 8.120
 N    0.42043435   1.53752066  -0.18620731
 C    0.86245897   0.37718993  -0.98962324
 C   -0.86847468   1.39764132   0.50404030
 C    1.43242673   2.02823076   0.73162718
 Si   0.20133512  -1.34389414  -0.44105241
 C   -1.64397404  -0.95978254  -0.09624109
 C   -1.90155603   0.55609122  -0.25816727
 C    1.09131587  -2.09738407   1.06041371
 H    0.35065598  -2.29076997  -1.60787749
 H   -2.30023665  -1.54570225  -0.76205900
 H   -1.88882194  -1.26242295   0.93836524
 H   -1.88869661   0.84519044  -1.32398063
 H   -2.90665124   0.81098043   0.12207122
 H   -1.26362902   2.41613771   0.67941470
 H   -0.74453778   0.93576186   1.51789142
 H    0.52266345   0.50107652  -2.03827734
 H    1.96442630   0.38243217  -1.03989056
 H    1.02293077  -1.43322745   1.93761298
 H    0.64554295  -3.06994599   1.33003098
 H    2.15800332  -2.26384251   0.83619409
 H    2.36866292   2.23563433   0.18852326
 H    1.66511416   1.32879543   1.57192924
 H    1.08946461   2.97588730   1.18246591
 23
 Energy -581.4425303372  Point 97  Step 8.118
 N    0.42175860   1.53773080  -0.18644277
 C    0.86056421   0.37703179  -0.99057830
 C   -0.87307174   1.40700154   0.49519370
 C    1.43124457   2.01976111   0.73854181
 Si   0.20058416  -1.34383337  -0.43986200
 C   -1.64223758  -0.95665894  -0.08510736
 C   -1.90190041   0.55693350  -0.26299913
 C    1.09834980  -2.10161911   1.05474437
 H    0.34082144  -2.28972750  -1.60871510
 H   -2.30320112  -1.55089416  -0.73881378
 H   -1.87920394  -1.24667333   0.95496301
 H   -1.88689162   0.83545769  -1.33164328
 H   -2.90842832   0.81401664   0.11200895
 H   -1.26897835   2.42767635   0.65612845
 H   -0.75667840   0.95675627   1.51498315
 H    0.51786560   0.50117801  -2.03821241
 H    1.96234766   0.38282266  -1.04403322
 H    1.03564386  -1.43987678   1.93417841
 H    0.65323661  -3.07449812   1.32440186
 H    2.16360451  -2.26841487   0.82418913
 H    2.37263451   2.22085784   0.20199921
 H    1.65313893   1.31770985   1.57962784
 H    1.09254098   2.96946055   1.18831898
 23
 Energy -581.4424651778  Point 98  Step 8.118
 N    0.42298098   1.53778054  -0.18660007
 C    0.85886244   0.37686362  -0.99148747
 C   -0.87774645   1.41641374   0.48634993
 C    1.42997928   2.01095130   0.74547996
 Si   0.19980999  -1.34375784  -0.43873133
 C   -1.64039790  -0.95340968  -0.07405980
 C   -1.90222388   0.55774540  -0.26782208
 C    1.10532536  -2.10556243   1.04914728
 H    0.33082134  -2.28879179  -1.60942840
 H   -2.30590211  -1.55569857  -0.71569625
 H   -1.86957791  -1.23075554   0.97124005
 H   -1.88476021   0.82589368  -1.33908027
 H   -2.91028168   0.81681888   0.10175323
 H   -1.27434127   2.43912333   0.63265089
 H   -0.76893912   0.97777829   1.51181038
 H    0.51387276   0.50134844  -2.03826579
 H    1.96049701   0.38316628  -1.04758783
 H    1.04940025  -1.44525051   1.93013074
 H    0.66039547  -3.07813949   1.32007285
 H    2.16885350  -2.27368001   0.81151124
 H    2.37599922   2.20699378   0.21522772
 H    1.64198573   1.30574157   1.58651124
 H    1.09488581   2.96192868   1.19527594
 23
 Energy -581.442360048  Point 99  Step 8.118
 N    0.42433301   1.53779722  -0.18676898
 C    0.85739967   0.37659868  -0.99233820
 C   -0.88224173   1.42586696   0.47732179
 C    1.42843831   2.00258575   0.75250200
 Si   0.19897702  -1.34376044  -0.43766280
 C   -1.63847829  -0.95021797  -0.06301601
 C   -1.90249620   0.55840081  -0.27240487
 C    1.11205861  -2.10950628   1.04349648
 H    0.32126152  -2.28784599  -1.61021582
 H   -2.30856598  -1.56022911  -0.69243244
 H   -1.85971643  -1.21504541   0.98725550
 H   -1.88332760   0.81620833  -1.34621278
 H   -2.91195361   0.81899508   0.09225640
 H   -1.27932309   2.45050133   0.60869715
 H   -0.78099879   0.99918898   1.50837296
 H    0.51022486   0.50141521  -2.03833504
 H    1.95886619   0.38331641  -1.05094415
 H    1.06288396  -1.45067526   1.92596449
 H    0.66722472  -3.08185984   1.31550738
 H    2.17373058  -2.27906092   0.79887632
 H    2.37974276   2.19127491   0.22909389
 H    1.62916521   1.29562412   1.59496231
 H    1.09761210   2.95585867   1.20024091
 23
 Energy -581.44231617  Point 100  Step 8.119
 N    0.42590975   1.53782398  -0.18695310
 C    0.85582344   0.37628870  -0.99318016
 C   -0.88636500   1.43503263   0.46787894
 C    1.42664034   1.99449451   0.75973703
 Si   0.19815440  -1.34386052  -0.43671129
 C   -1.63647473  -0.94691602  -0.05195981
 C   -1.90282969   0.55895555  -0.27663444
 C    1.11864767  -2.11335425   1.03785127
 H    0.31145054  -2.28684543  -1.61114965
 H   -2.31119543  -1.56455063  -0.66893460
 H   -1.84954807  -1.19928091   1.00307754
 H   -1.88250958   0.80617220  -1.35290483
 H   -2.91330878   0.82175591   0.08381557
 H   -1.28422465   2.46125829   0.58450861
 H   -0.79268368   1.02051844   1.50440007
 H    0.50596754   0.50169677  -2.03812562
 H    1.95713285   0.38323862  -1.05481838
 H    1.07622036  -1.45549602   1.92143314
 H    0.67385788  -3.08520192   1.31153798
 H    2.17851660  -2.28443211   0.78632494
 H    2.38389883   2.17345414   0.24382222
 H    1.61355760   1.28683139   1.60474028
 H    1.10162885   2.95175178   1.20366897
 23
 Energy -581.4422430876  Point 101  Step 8.124
 N    0.42724940   1.53770222  -0.18697695
 C    0.85422057   0.37615813  -0.99417366
 C   -0.89073331   1.44430326   0.45856580
 C    1.42498587   1.98562790   0.76689877
 Si   0.19742744  -1.34379180  -0.43577079
 C   -1.63431463  -0.94349414  -0.04097942
 C   -1.90310098   0.55947360  -0.28094593
 C    1.12515698  -2.11690298   1.03235198
 H    0.30155070  -2.28597229  -1.61180804
 H   -2.31349771  -1.56860294  -0.64537968
 H   -1.83918215  -1.18331875   1.01862838
 H   -1.88125797   0.79632400  -1.35957848
 H   -2.91478805   0.82396714   0.07489024
 H   -1.28914882   2.47202695   0.56003898
 H   -0.80460264   1.04215645   1.50038092
 H    0.50189972   0.50200666  -2.03821165
 H    1.95533795   0.38353322  -1.05867883
 H    1.08935176  -1.46012548   1.91700211
 H    0.68043351  -3.08840154   1.30742396
 H    2.18312881  -2.28949328   0.77411594
 H    2.38707185   2.15797384   0.25776172
 H    1.60042748   1.27581273   1.61262532
 H    1.10447150   2.94484083   1.20984853
 23
 Energy -581.4421439462  Point 102  Step 8.131
 N    0.42861191   1.53743939  -0.18683280
 C    0.85271359   0.37602888  -0.99521677
 C   -0.89516131   1.45365110   0.44906001
 C    1.42327110   1.97665298   0.77411097
 Si   0.19672033  -1.34368598  -0.43485690
 C   -1.63200239  -0.93999298  -0.03001666
 C   -1.90343444   0.55990280  -0.28514093
 C    1.13151214  -2.12035175   1.02686003
 H    0.29160613  -2.28530336  -1.61226272
 H   -2.31553213  -1.57235216  -0.62187555
 H   -1.82868703  -1.16736297   1.03395040
 H   -1.88032455   0.78631083  -1.36598215
 H   -2.91630138   0.82582160   0.06627913
 H   -1.29401262   2.48273300   0.53482758
 H   -0.81693634   1.06433375   1.49607374
 H    0.49807587   0.50257249  -2.03830846
 H    1.95367964   0.38380419  -1.06231380
 H    1.10153005  -1.46512265   1.91292093
 H    0.68728965  -3.09181718   1.30264676
 H    2.18788613  -2.29370444   0.76239301
 H    2.38969772   2.14359280   0.27133061
 H    1.58938018   1.26417123   1.61947508
 H    1.10646120   2.93711167   1.21699444
 23
 Energy -581.4420576797  Point 103  Step 8.138
 N    0.43001408   1.53713122  -0.18668406
 C    0.85132365   0.37589424  -0.99624599
 C   -0.89948868   1.46302336   0.43935453
 C    1.42141132   1.96767299   0.78137245
 Si   0.19602033  -1.34357039  -0.43400451
 C   -1.62958796  -0.93649014  -0.01912671
 C   -1.90380829   0.56023505  -0.28901283
 C    1.13774820  -2.12370692   1.02136769
 H    0.28212312  -2.28458477  -1.61265512
 H   -2.31729568  -1.57578166  -0.59854348
 H   -1.81811989  -1.15177390   1.04880700
 H   -1.87997646   0.77611006  -1.37204761
 H   -2.91777094   0.82749328   0.05845107
 H   -1.29865468   2.49330447   0.50893780
 H   -0.82919707   1.08696445   1.49152241
 H    0.49464658   0.50331589  -2.03849112
 H    1.95213002   0.38390315  -1.06567941
 H    1.11345950  -1.46981229   1.90854218
 H    0.69356627  -3.09498751   1.29812981
 H    2.19233437  -2.29816651   0.75089265
 H    2.39237100   2.12822797   0.28523942
 H    1.57690704   1.25298756   1.62690077
 H    1.10897338   2.92986173   1.22353159
 23
 Energy -581.4419649892  Point 104  Step 8.147
 N    0.43137195   1.53672691  -0.18645029
 C    0.85002623   0.37575975  -0.99725632
 C   -0.90373819   1.47234674   0.42952275
 C    1.41942036   1.95865056   0.78865640
 Si   0.19532453  -1.34340967  -0.43317491
 C   -1.62710531  -0.93291514  -0.00834440
 C   -1.90412938   0.56048694  -0.29273272
 C    1.14384521  -2.12700704   1.01590749
 H    0.27243272  -2.28388701  -1.61299610
 H   -2.31886498  -1.57893682  -0.57538151
 H   -1.80745907  -1.13622555   1.06341172
 H   -1.87964654   0.76611596  -1.37773273
 H   -2.91909588   0.82894726   0.05087668
 H   -1.30323482   2.50359595   0.48259653
 H   -0.84139262   1.11016588   1.48673884
 H    0.49148580   0.50407314  -2.03867869
 H    1.95070103   0.38403374  -1.06887068
 H    1.12586822  -1.47430455   1.90414373
 H    0.69962895  -3.09786905   1.29389224
 H    2.19661045  -2.30297450   0.73908289
 H    2.39477905   2.11265941   0.29909981
 H    1.56419848   1.24184349   1.63430743
 H    1.11141635   2.92270408   1.22999020
 23
 Energy -581.441869753  Point 105  Step 8.157
 N    0.43273093   1.53633172  -0.18623920
 C    0.84881211   0.37564754  -0.99830839
 C   -0.90786560   1.48155741   0.41961796
 C    1.41727348   1.94954918   0.79600317
 Si   0.19463077  -1.34322103  -0.43236470
 C   -1.62452871  -0.92925703   0.00243334
 C   -1.90443183   0.56067725  -0.29639890
 C    1.14981140  -2.13024086   1.01048518
 H    0.26263954  -2.28323482  -1.61321088
 H   -2.32030909  -1.58184263  -0.55198465
 H   -1.79659538  -1.12047295   1.07774773
 H   -1.87939846   0.75610673  -1.38331313
 H   -2.92034765   0.83039273   0.04360993
 H   -1.30767156   2.51351229   0.45608221
 H   -0.85339249   1.13331804   1.48164994
 H    0.48839405   0.50494883  -2.03891055
 H    1.94932367   0.38419470  -1.07208658
 H    1.13789288  -1.47877611   1.89966645
 H    0.70567714  -3.10087387   1.28958661
 H    2.20067230  -2.30745957   0.72750242
 H    2.39698281   2.09716238   0.31315365
 H    1.55144500   1.23068148   1.64166273
 H    1.11360062   2.91523068   1.23670428
 23
 Energy -581.4417738116  Point 106  Step 8.169
 N    0.43409611   1.53589924  -0.18595415
 C    0.84761338   0.37556168  -0.99934898
 C   -0.91191972   1.49073247   0.40955425
 C    1.41504113   1.94041020   0.80336335
 Si   0.19394062  -1.34301998  -0.43158185
 C   -1.62186460  -0.92553227   0.01319691
 C   -1.90471663   0.56081119  -0.29991513
 C    1.15568838  -2.13342522   1.00503296
 H    0.25268328  -2.28247539  -1.61347833
 H   -2.32159225  -1.58455457  -0.52855078
 H   -1.78559588  -1.10477519   1.09198746
 H   -1.87915635   0.74591316  -1.38861559
 H   -2.92157478   0.83168722   0.03637682
 H   -1.31186722   2.52319833   0.42936942
 H   -0.86533003   1.15657094   1.47614611
 H    0.48535759   0.50584945  -2.03910745
 H    1.94799757   0.38432953  -1.07526998
 H    1.14924010  -1.48310972   1.89517161
 H    0.71166583  -3.10373734   1.28523636
 H    2.20488959  -2.31177513   0.71642363
 H    2.39890825   2.08187245   0.32714972
 H    1.53882552   1.21929493   1.64875141
 H    1.11553319   2.90756476   1.24371970
 23
 Energy -581.4416712506  Point 107  Step 8.182
 N    0.43544118   1.53538033  -0.18557070
 C    0.84649509   0.37553204  -1.00041075
 C   -0.91590951   1.49988506   0.39934237
 C    1.41270237   1.93122963   0.81075130
 Si   0.19327048  -1.34277514  -0.43082272
 C   -1.61912998  -0.92178505   0.02388894
 C   -1.90495906   0.56085967  -0.30321625
 C    1.16141151  -2.13656683   0.99962427
 H    0.24294107  -2.28176774  -1.61359122
 H   -2.32263417  -1.58677994  -0.50547762
 H   -1.77485631  -1.08939224   1.10567725
 H   -1.87918139   0.73569857  -1.39367105
 H   -2.92268006   0.83285007   0.02967588
 H   -1.31597277   2.53263804   0.40182411
 H   -0.87728202   1.18034874   1.47035752
 H    0.48243042   0.50692416  -2.03934534
 H    1.94671833   0.38450644  -1.07844223
 H    1.16089036  -1.48747336   1.89064129
 H    0.71747446  -3.10660907   1.28109722
 H    2.20865496  -2.31616788   0.70507598
 H    2.40061489   2.06654199   0.34107719
 H    1.52624488   1.20803792   1.65579130
 H    1.11744590   2.89977879   1.25082089
 23
 Energy -581.4415704055  Point 108  Step 8.196
 N    0.43679230   1.53487515  -0.18523935
 C    0.84551587   0.37545989  -1.00140688
 C   -0.91978196   1.50895380   0.38896584
 C    1.41015899   1.92202075   0.81817403
 Si   0.19262060  -1.34250880  -0.43011952
 C   -1.61624935  -0.91795039   0.03452461
 C   -1.90524797   0.56084548  -0.30634529
 C    1.16692800  -2.13963997   0.99428070
 H    0.23325898  -2.28096550  -1.61378781
 H   -2.32343115  -1.58894617  -0.48228542
 H   -1.76363607  -1.07386732   1.11933312
 H   -1.87949598   0.72550800  -1.39837792
 H   -2.92373826   0.83384185   0.02342648
 H   -1.31985475   2.54168916   0.37432672
 H   -0.88900294   1.20418349   1.46421700
 H    0.47980123   0.50790817  -2.03954042
 H    1.94563429   0.38457667  -1.08134687
 H    1.17218754  -1.49159629   1.88606317
 H    0.72299881  -3.10933288   1.27673065
 H    2.21237123  -2.32040555   0.69377250
 H    2.40214595   2.05065647   0.35525182
 H    1.51296832   1.19696157   1.66300898
 H    1.11943604   2.89214607   1.25781277
 23
 Energy -581.4414717283  Point 109  Step 8.212
 N    0.43810834   1.53414531  -0.18470689
 C    0.84451029   0.37543488  -1.00251011
 C   -0.92363492   1.51797867   0.37849355
 C    1.40758260   1.91272510   0.82562576
 Si   0.19202828  -1.34217313  -0.42952747
 C   -1.61323930  -0.91409313   0.04516749
 C   -1.90552591   0.56075774  -0.30929724
 C    1.17227863  -2.14254907   0.98896851
 H    0.22361142  -2.28023229  -1.61386053
 H   -2.32395417  -1.59082074  -0.45905791
 H   -1.75226236  -1.05848487   1.13262393
 H   -1.87993781   0.71519365  -1.40289277
 H   -2.92479458   0.83468749   0.01747306
 H   -1.32350074   2.55055014   0.34627908
 H   -0.90086879   1.22846758   1.45782548
 H    0.47733212   0.50925409  -2.03990063
 H    1.94448337   0.38471672  -1.08424123
 H    1.18269653  -1.49581220   1.88161743
 H    0.72845148  -3.11206600   1.27231474
 H    2.21597400  -2.32431512   0.68328258
 H    2.40350485   2.03469196   0.36927523
 H    1.49997884   1.18605526   1.67029323
 H    1.12142611   2.88453295   1.26447125
 23
 Energy -581.4413722692  Point 110  Step 8.230
 N    0.43944000   1.53330343  -0.18401286
 C    0.84354118   0.37556789  -1.00381873
 C   -0.92738588   1.52692810   0.36790717
 C    1.40487651   1.90335410   0.83313853
 Si   0.19147853  -1.34178015  -0.42895718
 C   -1.61011313  -0.91020019   0.05568769
 C   -1.90577438   0.56058803  -0.31207376
 C    1.17741821  -2.14539139   0.98377668
 H    0.21393584  -2.27971677  -1.61372549
 H   -2.32435321  -1.59251244  -0.43598035
 H   -1.74073972  -1.04324911   1.14574881
 H   -1.88044015   0.70494294  -1.40704704
 H   -2.92577722   0.83529137   0.01179428
 H   -1.32697830   2.55898568   0.31752115
 H   -0.91257493   1.25306158   1.45104194
 H    0.47471154   0.51077997  -2.04036781
 H    1.94340647   0.38491574  -1.08748066
 H    1.19319364  -1.49996553   1.87731819
 H    0.73331223  -3.11454098   1.26777551
 H    2.21942498  -2.32851613   0.67287644
 H    2.40451497   2.01894019   0.38327169
 H    1.48716764   1.17504647   1.67745009
 H    1.12310593   2.87664600   1.27158211
 23
 Energy -581.4412767702  Point 111  Step 8.249
 N    0.44073884   1.53259126  -0.18348014
 C    0.84274961   0.37564843  -1.00494154
 C   -0.93101114   1.53578235   0.35718390
 C    1.40201651   1.89392547   0.84066275
 Si   0.19091403  -1.34136301  -0.42841002
 C   -1.60697804  -0.90625839   0.06621526
 C   -1.90602597   0.56038486  -0.31467433
 C    1.18250564  -2.14820490   0.97855761
 H    0.20417287  -2.27893499  -1.61367520
 H   -2.32452989  -1.59382864  -0.41299384
 H   -1.72931167  -1.02812299   1.15847796
 H   -1.88114759   0.69457509  -1.41101911
 H   -2.92673159   0.83587485   0.00647657
 H   -1.33030420   2.56704368   0.28870228
 H   -0.92398156   1.27775559   1.44389489
 H    0.47241245   0.51222809  -2.04070477
 H    1.94247553   0.38522523  -1.09032711
 H    1.20290033  -1.50416495   1.87295581
 H    0.73840163  -3.11726938   1.26307984
 H    2.22281667  -2.33230527   0.66288617
 H    2.40538710   2.00308502   0.39741849
 H    1.47400069   1.16360810   1.68418990
 H    1.12475821   2.86847368   1.27899987
 23
 Energy -581.4411810338  Point 112  Step 8.268
 N    0.44196373   1.53179849  -0.18275167
 C    0.84198484   0.37578083  -1.00606767
 C   -0.93456918   1.54456808   0.34632697
 C    1.39910074   1.88446481   0.84815048
 Si   0.19037365  -1.34090122  -0.42789469
 C   -1.60374341  -0.90224002   0.07664005
 C   -1.90626907   0.56012643  -0.31715063
 C    1.18742913  -2.15104751   0.97336759
 H    0.19456660  -2.27828980  -1.61345493
 H   -2.32460351  -1.59503415  -0.39001432
 H   -1.71767320  -1.01300531   1.17112661
 H   -1.88197479   0.68431749  -1.41468304
 H   -2.92758755   0.83639969   0.00143508
 H   -1.33355427   2.57468165   0.25944882
 H   -0.93540442   1.30283222   1.43640550
 H    0.47032140   0.51381610  -2.04109295
 H    1.94161149   0.38542409  -1.09299713
 H    1.21271819  -1.50838991   1.86868391
 H    0.74337156  -3.11992847   1.25836542
 H    2.22617785  -2.33590859   0.65279040
 H    2.40591522   1.98724224   0.41123182
 H    1.46106689   1.15240533   1.69097330
 H    1.12634276   2.86036356   1.28635744
 23
 Energy -581.4410808637  Point 113  Step 8.290
 N    0.44322358   1.53076945  -0.18186642
 C    0.84123265   0.37595263  -1.00731407
 C   -0.93800089   1.55321787   0.33533807
 C    1.39604175   1.87507527   0.85572375
 Si   0.18981026  -1.34042061  -0.42739548
 C   -1.60036793  -0.89818153   0.08701024
 C   -1.90647199   0.55981973  -0.31953186
 C    1.19221693  -2.15365751   0.96819148
 H    0.18505262  -2.27790242  -1.61311582
 H   -2.32434709  -1.59594274  -0.36711530
 H   -1.70583797  -0.99794809   1.18332032
 H   -1.88284378   0.67388929  -1.41824333
 H   -2.92840200   0.83686040  -0.00340080
 H   -1.33635404   2.58197214   0.22977084
 H   -0.94690400   1.32795576   1.42851189
 H    0.46832518   0.51559740  -2.04159831
 H    1.94077426   0.38552989  -1.09563094
 H    1.22363855  -1.51197319   1.86393323
 H    0.74710250  -3.12168062   1.25466265
 H    2.22881063  -2.34102094   0.64236694
 H    2.40625842   1.97188221   0.42522308
 H    1.44827852   1.14160669   1.69796151
 H    1.12738431   2.85217048   1.29375351
 23
 Energy -581.4409860853  Point 114  Step 8.313
 N    0.44443438   1.52990021  -0.18107053
 C    0.84062457   0.37616535  -1.00844932
 C   -0.94130975   1.56172619   0.32427449
 C    1.39285436   1.86546444   0.86328596
 Si   0.18921943  -1.33987285  -0.42689702
 C   -1.59703120  -0.89408466   0.09738955
 C   -1.90661117   0.55943487  -0.32182258
 C    1.19694587  -2.15622848   0.96301956
 H    0.17515456  -2.27691816  -1.61300751
 H   -2.32400392  -1.59671683  -0.34441081
 H   -1.69433551  -0.98299935   1.19551001
 H   -1.88346858   0.66350340  -1.42154091
 H   -2.92916389   0.83721484  -0.00831815
 H   -1.33907066   2.58878434   0.20017666
 H   -0.95799105   1.35304996   1.42022118
 H    0.46660359   0.51742637  -2.04202561
 H    1.94010275   0.38573238  -1.09803358
 H    1.23373603  -1.51501473   1.85897186
 H    0.75128034  -3.12349325   1.25094026
 H    2.23170829  -2.34555601   0.63228696
 H    2.40630492   1.95623257   0.43911173
 H    1.43541033   1.13001014   1.70436640
 H    1.12850910   2.84356288   1.30169700
 23
 Energy -581.4409048961  Point 115  Step 8.337
 N    0.44565913   1.52920846  -0.18042734
 C    0.84007940   0.37640709  -1.00958739
 C   -0.94449149   1.57012196   0.31310513
 C    1.38949025   1.85565015   0.87088644
 Si   0.18862136  -1.33926560  -0.42634618
 C   -1.59365524  -0.88992824   0.10769557
 C   -1.90675308   0.55907393  -0.32392912
 C    1.20157793  -2.15883095   0.95791193
 H    0.16569277  -2.27554478  -1.61280988
 H   -2.32353070  -1.59712970  -0.32172551
 H   -1.68263333  -0.96810877   1.20726624
 H   -1.88431225   0.65293070  -1.42466795
 H   -2.92998437   0.83752274  -0.01305171
 H   -1.34145928   2.59521671   0.17047700
 H   -0.96862377   1.37811118   1.41152731
 H    0.46471222   0.51912282  -2.04241516
 H    1.93944305   0.38599182  -1.10062218
 H    1.24330883  -1.51897248   1.85454812
 H    0.75600732  -3.12602859   1.24643190
 H    2.23452846  -2.34906823   0.62231591
 H    2.40617596   1.94066005   0.45311160
 H    1.42245937   1.11809642   1.71053736
 H    1.12940114   2.83451777   1.30998106
 23
 Energy -581.4408206148  Point 116  Step 8.363
 N    0.44689748   1.52841212  -0.17972468
 C    0.83962846   0.37666024  -1.01076935
 C   -0.94748755   1.57846267   0.30171149
 C    1.38592348   1.84581897   0.87854498
 Si   0.18809689  -1.33863339  -0.42580908
 C   -1.59018663  -0.88567665   0.11782339
 C   -1.90700525   0.55875429  -0.32583073
 C    1.20605201  -2.16139945   0.95286563
 H    0.15626321  -2.27476695  -1.61231836
 H   -2.32287692  -1.59733626  -0.29934449
 H   -1.67085297  -0.95330885   1.21882180
 H   -1.88585302   0.64253321  -1.42740804
 H   -2.93061564   0.83771522  -0.01669928
 H   -1.34345569   2.60129565   0.14046867
 H   -0.97918807   1.40338920   1.40233702
 H    0.46297375   0.52080422  -2.04283983
 H    1.93892082   0.38620899  -1.10321465
 H    1.25274987  -1.52286318   1.85025234
 H    0.76033879  -3.12829091   1.24195317
 H    2.23730800  -2.35281311   0.61247188
 H    2.40569293   1.92557369   0.46728689
 H    1.40958659   1.10592383   1.71642662
 H    1.12953491   2.82519984   1.31868058
 23
 Energy -581.4407389559  Point 117  Step 8.389
 N    0.44806060   1.52761401  -0.17901953
 C    0.83922698   0.37699798  -1.01189384
 C   -0.95040913   1.58664786   0.29022829
 C    1.38228283   1.83591680   0.88618845
 Si   0.18757943  -1.33793278  -0.42526542
 C   -1.58668467  -0.88139579   0.12791203
 C   -1.90722679   0.55834164  -0.32759023
 C    1.21046745  -2.16397398   0.94780670
 H    0.14679827  -2.27366373  -1.61185673
 H   -2.32195088  -1.59731833  -0.27714086
 H   -1.65934396  -0.93871593   1.23000301
 H   -1.88730514   0.63261728  -1.42991619
 H   -2.93111313   0.83831292  -0.02005958
 H   -1.34534174   2.60687326   0.10997209
 H   -0.98959427   1.42902963   1.39280681
 H    0.46169967   0.52269419  -2.04336654
 H    1.93844996   0.38640399  -1.10535358
 H    1.26194505  -1.52667264   1.84573463
 H    0.76443135  -3.13058212   1.23759241
 H    2.23992768  -2.35657671   0.60291721
 H    2.40505340   1.91052150   0.48125440
 H    1.39675252   1.09334669   1.72188778
 H    1.12964915   2.81558339   1.32763778
 23
 Energy -581.4406625334  Point 118  Step 8.417
 N    0.44924014   1.52680623  -0.17822488
 C    0.83886698   0.37736904  -1.01309759
 C   -0.95317674   1.59465505   0.27870989
 C    1.37852178   1.82595141   0.89383464
 Si   0.18702646  -1.33712984  -0.42469438
 C   -1.58316554  -0.87707316   0.13796727
 C   -1.90740100   0.55791690  -0.32932441
 C    1.21481365  -2.16650540   0.94276833
 H    0.13722499  -2.27258817  -1.61128868
 H   -2.32092118  -1.59716951  -0.25504651
 H   -1.64779170  -0.92410288   1.24113514
 H   -1.88864046   0.62232243  -1.43229532
 H   -2.93170543   0.83855541  -0.02371097
 H   -1.34683049   2.61192731   0.07945212
 H   -0.99979106   1.45448300   1.38292542
 H    0.46013908   0.52444820  -2.04385613
 H    1.93802320   0.38667067  -1.10787987
 H    1.27133814  -1.53038841   1.84126349
 H    0.76830254  -3.13260447   1.23332313
 H    2.24249342  -2.36058580   0.59321629
 H    2.40415496   1.89523569   0.49524945
 H    1.38379373   1.08106201   1.72756293
 H    1.12972257   2.80606940   1.33647681
 23
 Energy -581.4405894557  Point 119  Step 8.447
 N    0.45039008   1.52599559  -0.17744328
 C    0.83859047   0.37776814  -1.01429775
 C   -0.95582781   1.60258937   0.26706650
 C    1.37459197   1.81592443   0.90152621
 Si   0.18651117  -1.33631523  -0.42414746
 C   -1.57956357  -0.87273040   0.14792278
 C   -1.90754236   0.55747809  -0.33083458
 C    1.21900329  -2.16898912   0.93778591
 H    0.12765288  -2.27144977  -1.61062819
 H   -2.31964026  -1.59674141  -0.23325243
 H   -1.63624586  -0.90979305   1.25184588
 H   -1.89008381   0.61205844  -1.43442995
 H   -2.93220708   0.83896004  -0.02700277
 H   -1.34809656   2.61662681   0.04875071
 H   -1.00961502   1.48009279   1.37261310
 H    0.45833445   0.52647006  -2.04418935
 H    1.93759987   0.38715597  -1.11055316
 H    1.28081202  -1.53389009   1.83659508
 H    0.77188241  -3.13455247   1.22940102
 H    2.24467864  -2.36478498   0.58351984
 H    2.40310782   1.87985742   0.50931253
 H    1.37061577   1.06876653   1.73319183
 H    1.12964752   2.79638194   1.34537921
 23
 Energy -581.4405265652  Point 120  Step 8.477
 N    0.45148774   1.52533251  -0.17672258
 C    0.83840620   0.37824459  -1.01544181
 C   -0.95834978   1.61042543   0.25534459
 C    1.37048922   1.80578712   0.90916257
 Si   0.18605495  -1.33545916  -0.42362729
 C   -1.57584767  -0.86829418   0.15780672
 C   -1.90770228   0.55706334  -0.33217272
 C    1.22295974  -2.17162766   0.93287033
 H    0.11840732  -2.27013207  -1.61011412
 H   -2.31828013  -1.59611909  -0.21142187
 H   -1.62447990  -0.89542999   1.26248752
 H   -1.89178477   0.60182957  -1.43625497
 H   -2.93272123   0.83898667  -0.02987841
 H   -1.34916582   2.62083508   0.01795888
 H   -1.01930572   1.50583463   1.36188266
 H    0.45720001   0.52842795  -2.04466317
 H    1.93741158   0.38748981  -1.11271526
 H    1.28901160  -1.53797534   1.83243590
 H    0.77583050  -3.13699545   1.22475203
 H    2.24709147  -2.36815115   0.57434348
 H    2.40168911   1.86501113   0.52327355
 H    1.35761736   1.05590975   1.73822655
 H    1.12899792   2.78626276   1.35478989
 23
 Energy -581.4404660457  Point 121  Step 8.508
 N    0.45261069   1.52470739  -0.17608630
 C    0.83838830   0.37874395  -1.01650707
 C   -0.96072199   1.61807613   0.24345286
 C    1.36618394   1.79569992   0.91680428
 Si   0.18557736  -1.33454774  -0.42304884
 C   -1.57205422  -0.86378528   0.16769342
 C   -1.90786364   0.55662157  -0.33346499
 C    1.22679636  -2.17432100   0.92791841
 H    0.10900096  -2.26850540  -1.60958670
 H   -2.31667885  -1.59530067  -0.18949899
 H   -1.61261119  -0.88094264   1.27283954
 H   -1.89372162   0.59178329  -1.43798060
 H   -2.93307724   0.83913695  -0.03228569
 H   -1.34989024   2.62462361  -0.01288885
 H   -1.02859979   1.53120003   1.35067632
 H    0.45612869   0.53027032  -2.04507230
 H    1.93732435   0.38793947  -1.11482111
 H    1.29644120  -1.54258307   1.82849377
 H    0.77961918  -3.13986811   1.21952938
 H    2.24950449  -2.37125848   0.56575728
 H    2.40000393   1.85117440   0.53719825
 H    1.34516873   1.04253859   1.74270140
 H    1.12739440   2.77558011   1.36501372
 23
 Energy -581.4404104228  Point 122  Step 8.539
 N    0.45375232   1.52410939  -0.17542927
 C    0.83851873   0.37924494  -1.01754735
 C   -0.96289329   1.62552189   0.23148543
 C    1.36169025   1.78567093   0.92446182
 Si   0.18503393  -1.33356895  -0.42245060
 C   -1.56832602  -0.85926787   0.17754562
 C   -1.90794377   0.55611781  -0.33466677
 C    1.23055416  -2.17698493   0.92295444
 H    0.09946059  -2.26690169  -1.60898191
 H   -2.31509535  -1.59433895  -0.16775162
 H   -1.60085129  -0.86652440   1.28312951
 H   -1.89529592   0.58154478  -1.43948021
 H   -2.93342701   0.83931108  -0.03496719
 H   -1.35037079   2.62782795  -0.04375177
 H   -1.03770115   1.55676714   1.33906801
 H    0.45553023   0.53228404  -2.04553637
 H    1.93744265   0.38805568  -1.11663721
 H    1.30437923  -1.54688576   1.82436346
 H    0.78309744  -3.14235700   1.21457354
 H    2.25170795  -2.37478110   0.55676013
 H    2.39807869   1.83676249   0.55125838
 H    1.33201160   1.02949395   1.74724656
 H    1.12593540   2.76529554   1.37480746
 23
 Energy -581.4403545256  Point 123  Step 8.572
 N    0.45484844   1.52346002  -0.17475468
 C    0.83865732   0.37975627  -1.01859846
 C   -0.96497205   1.63288497   0.21943346
 C    1.35707977   1.77554373   0.93210625
 Si   0.18453195  -1.33254312  -0.42184053
 C   -1.56452260  -0.85471218   0.18724275
 C   -1.90807323   0.55567185  -0.33560662
 C    1.23424003  -2.17964163   0.91803708
 H    0.09037568  -2.26517151  -1.60830392
 H   -2.31308762  -1.59314131  -0.14668051
 H   -1.58944472  -0.85266031   1.29301196
 H   -1.89711972   0.57140377  -1.44069114
 H   -2.93376295   0.83953421  -0.03714556
 H   -1.35048114   2.63057756  -0.07517217
 H   -1.04655499   1.58287580   1.32706028
 H    0.45477819   0.53430670  -2.04596904
 H    1.93752171   0.38839291  -1.11864804
 H    1.31249135  -1.55105042   1.82009347
 H    0.78630098  -3.14476811   1.20985392
 H    2.25366726  -2.37852875   0.54775723
 H    2.39603690   1.82227450   0.56528929
 H    1.31891128   1.01663886   1.75200271
 H    1.12438289   2.75483998   1.38455806
 23
 Energy -581.4403217594  Point 124  Step 8.606
 N    0.45594227   1.52280002  -0.17395229
 C    0.83885933   0.38035749  -1.01960516
 C   -0.96692838   1.64023246   0.20725076
 C    1.35230456   1.76549156   0.93971073
 Si   0.18412088  -1.33152854  -0.42132202
 C   -1.56062929  -0.85016135   0.19684370
 C   -1.90819545   0.55521526  -0.33636465
 C    1.23769782  -2.18238601   0.91320944
 H    0.08110242  -2.26352572  -1.60763811
 H   -2.31109835  -1.59176370  -0.12565340
 H   -1.57781622  -0.83892707   1.30274982
 H   -1.89933402   0.56143639  -1.44158288
 H   -2.93402399   0.83973865  -0.03883542
 H   -1.35006909   2.63299343  -0.10683965
 H   -1.05530723   1.60908808   1.31458318
 H    0.45399764   0.53631860  -2.04631764
 H    1.93768338   0.38879709  -1.12054765
 H    1.32043242  -1.55518551   1.81587440
 H    0.78913457  -3.14708469   1.20519607
 H    2.25548123  -2.38252110   0.53897839
 H    2.39369563   1.80808417   0.57930166
 H    1.30572156   1.00362388   1.75637080
 H    1.12233573   2.74433267   1.39448274
 23
 Energy -581.440285535  Point 125  Step 8.640
 N    0.45706930   1.52218645  -0.17325866
 C    0.83910551   0.38097457  -1.02065088
 C   -0.96868423   1.64739293   0.19492208
 C    1.34732215   1.75548588   0.94734095
 Si   0.18369335  -1.33043057  -0.42064246
 C   -1.55670522  -0.84549219   0.20642677
 C   -1.90829550   0.55478969  -0.33703035
 C    1.24112516  -2.18532500   0.90828475
 H    0.07182961  -2.26164141  -1.60680309
 H   -2.30888072  -1.59018788  -0.10467546
 H   -1.56623494  -0.82505338   1.31226002
 H   -1.90160641   0.55149390  -1.44232456
 H   -2.93416901   0.84002380  -0.04025718
 H   -1.34967937   2.63471338  -0.13869266
 H   -1.06363805   1.63533816   1.30162565
 H    0.45309161   0.53839130  -2.04664237
 H    1.93788908   0.38917352  -1.12265193
 H    1.32752443  -1.56041725   1.81212955
 H    0.79220345  -3.15016685   1.19953610
 H    2.25736045  -2.38604392   0.53028825
 H    2.39120387   1.79385741   0.59352866
 H    1.29214096   0.99092620   1.76093613
 H    1.12010434   2.73393547   1.40416233
 23
 Energy -581.4402620409  Point 126  Step 8.674
 N    0.45815571   1.52166104  -0.17253110
 C    0.83948323   0.38164152  -1.02153996
 C   -0.97031735   1.65442785   0.18249184
 C    1.34219001   1.74545576   0.95492529
 Si   0.18330896  -1.32931805  -0.42006653
 C   -1.55271876  -0.84083032   0.21596844
 C   -1.90837930   0.55433505  -0.33754584
 C    1.24433413  -2.18824863   0.90344829
 H    0.06272045  -2.25961838  -1.60614929
 H   -2.30666435  -1.58845830  -0.08362196
 H   -1.55444977  -0.81121970   1.32165768
 H   -1.90399224   0.54157473  -1.44281315
 H   -2.93429178   0.84021565  -0.04143152
 H   -1.34883870   2.63595613  -0.17080347
 H   -1.07193985   1.66175119   1.28820947
 H    0.45236890   0.54029580  -2.04684438
 H    1.93822777   0.38960825  -1.12450203
 H    1.33447191  -1.56534876   1.80831898
 H    0.79480570  -3.15303681   1.19387197
 H    2.25908558  -2.38974987   0.52184986
 H    2.38836354   1.78026369   0.60747603
 H    1.27904720   0.97777053   1.76495066
 H    1.11721013   2.72308829   1.41450569
 23
 Energy -581.4402404337  Point 127  Step 8.709
 N    0.45925067   1.52106777  -0.17182654
 C    0.84021179   0.38222482  -1.02229051
 C   -0.97177278   1.66124451   0.16989463
 C    1.33676496   1.73551693   0.96258594
 Si   0.18281805  -1.32822307  -0.41959666
 C   -1.54867886  -0.83610305   0.22551211
 C   -1.90845334   0.55387732  -0.33796772
 C    1.24737960  -2.19095899   0.89863573
 H    0.05344255  -2.25756745  -1.60553648
 H   -2.30422545  -1.58655574  -0.06272406
 H   -1.54268617  -0.79752766   1.33088856
 H   -1.90643043   0.53155788  -1.44314428
 H   -2.93434804   0.84053424  -0.04242581
 H   -1.34753366   2.63668869  -0.20294486
 H   -1.07989224   1.68800370   1.27422118
 H    0.45318654   0.54254563  -2.04731135
 H    1.93901774   0.38970192  -1.12510681
 H    1.34208325  -1.56932874   1.80388890
 H    0.79676296  -3.15509828   1.18962241
 H    2.26033050  -2.39425998   0.51328118
 H    2.38524963   1.76729267   0.62166118
 H    1.26589643   0.96445459   1.76866352
 H    1.11349302   2.71205845   1.42517670
 23
 Energy -581.4402315402  Point 128  Step 8.746
 N    0.46041383   1.52057388  -0.17126663
 C    0.84102860   0.38273247  -1.02306435
 C   -0.97301336   1.66786829   0.15729593
 C    1.33113572   1.72549143   0.97020892
 Si   0.18223433  -1.32703818  -0.41891480
 C   -1.54478510  -0.83126692   0.23496189
 C   -1.90851757   0.55350093  -0.33837298
 C    1.25055559  -2.19374220   0.89373058
 H    0.04413334  -2.25540505  -1.60468877
 H   -2.30188188  -1.58440801  -0.04196673
 H   -1.53106666  -0.78375467   1.33992095
 H   -1.90879219   0.52168887  -1.44336191
 H   -2.93438272   0.84098201  -0.04343376
 H   -1.34580324   2.63695106  -0.23485623
 H   -1.08730938   1.71406312   1.25993890
 H    0.45365258   0.54445049  -2.04766098
 H    1.93987042   0.38961219  -1.12607448
 H    1.34886905  -1.57426367   1.80008869
 H    0.79997762  -3.15807441   1.18397905
 H    2.26210842  -2.39711147   0.50469041
 H    2.38196426   1.75347097   0.63611951
 H    1.25181579   0.95141659   1.77255267
 H    1.10994234   2.70123789   1.43536988
 23
 Energy -581.4402148494  Point 129  Step 8.782
 N    0.46155120   1.52027422  -0.17079779
 C    0.84182914   0.38330542  -1.02375669
 C   -0.97414481   1.67437995   0.14463849
 C    1.32528689   1.71541588   0.97778174
 Si   0.18166993  -1.32585427  -0.41815798
 C   -1.54077543  -0.82629562   0.24442979
 C   -1.90846916   0.55318897  -0.33874667
 C    1.25366261  -2.19675498   0.88878353
 H    0.03476832  -2.25299782  -1.60386074
 H   -2.29946555  -1.58195019  -0.02107882
 H   -1.51941850  -0.76974357   1.34883093
 H   -1.91108795   0.51182723  -1.44345695
 H   -2.93429258   0.84149584  -0.04437869
 H   -1.34392552   2.63678240  -0.26663507
 H   -1.09454160   1.73986435   1.24520467
 H    0.45401768   0.54629317  -2.04791529
 H    1.94069678   0.38963621  -1.12701196
 H    1.35495972  -1.57989589   1.79657015
 H    0.80343762  -3.16172805   1.17757361
 H    2.26393356  -2.39955583   0.49617794
 H    2.37839929   1.73980989   0.65049264
 H    1.23765877   0.93806284   1.77600692
 H    1.10613715   2.69015059   1.44591570
 23
 Energy -581.4402291722  Point 130  Step 8.822
 N    0.46276876   1.51959823  -0.17013414
 C    0.84259993   0.38391187  -1.02475798
 C   -0.97496851   1.68074431   0.13193745
 C    1.31940118   1.70500488   0.98543318
 Si   0.18129844  -1.32464250  -0.41762954
 C   -1.53678682  -0.82146078   0.25329434
 C   -1.90884123   0.55300510  -0.33850079
 C    1.25657225  -2.19902332   0.88430090
 H    0.02618070  -2.25105432  -1.60288456
 H   -2.29671851  -1.57945219  -0.00180495
 H   -1.50822950  -0.75713485   1.35710672
 H   -1.91483844   0.50262585  -1.44287658
 H   -2.93429996   0.84207888  -0.04352148
 H   -1.34098464   2.63608780  -0.29877634
 H   -1.10134766   1.76615676   1.23001477
 H    0.45371623   0.54832368  -2.04822354
 H    1.94145043   0.38985855  -1.12873918
 H    1.36104671  -1.58400064   1.79295000
 H    0.80614868  -3.16406699   1.17252771
 H    2.26554701  -2.40228651   0.48858372
 H    2.37474696   1.72639535   0.66502477
 H    1.22380766   0.92429657   1.77939958
 H    1.10148184   2.67845397   1.45666514
 23
 Energy -581.4402394128  Point 131  Step 8.862
 N    0.46391652   1.51921741  -0.16966231
 C    0.84354132   0.38459065  -1.02562935
 C   -0.97572834   1.68679030   0.11943757
 C    1.31323895   1.69478296   0.99290963
 Si   0.18092649  -1.32327647  -0.41698530
 C   -1.53274817  -0.81666227   0.26216051
 C   -1.90887870   0.55278808  -0.33844774
 C    1.25921939  -2.20176427   0.87977728
 H    0.01704900  -2.24852799  -1.60198530
 H   -2.29384390  -1.57698633   0.01775744
 H   -1.49682947  -0.74398577   1.36520802
 H   -1.91784316   0.49358859  -1.44238762
 H   -2.93404395   0.84269443  -0.04311408
 H   -1.33821739   2.63489987  -0.33002507
 H   -1.10774099   1.79159323   1.21476208
 H    0.45417388   0.55043069  -2.04860098
 H    1.94242909   0.39004345  -1.12987603
 H    1.36782282  -1.58842368   1.78908642
 H    0.80776233  -3.16631503   1.16789530
 H    2.26660900  -2.40635148   0.48069089
 H    2.37080416   1.71322346   0.67953385
 H    1.20955340   0.91057943   1.78233933
 H    1.09648144   2.66678811   1.46751839
 23
 Energy -581.4403072813  Point 132  Step 8.896
 N    0.46531933   1.51907023  -0.16926954
 C    0.84520922   0.38509055  -1.02583378
 C   -0.97621604   1.69250491   0.10624065
 C    1.30690192   1.68573508   1.00033406
 Si   0.18031096  -1.32195406  -0.41621605
 C   -1.52895056  -0.81192429   0.27120477
 C   -1.90917385   0.55242675  -0.33819121
 C    1.26171937  -2.20508408   0.87490265
 H    0.00816871  -2.24573594  -1.60123153
 H   -2.29116985  -1.57445147   0.03729447
 H   -1.48586441  -0.73122055   1.37344757
 H   -1.92143960   0.48382474  -1.44164126
 H   -2.93385989   0.84370189  -0.04255698
 H   -1.33510777   2.63289533  -0.36204080
 H   -1.11390080   1.81697361   1.19845296
 H    0.45654789   0.55201563  -2.04887385
 H    1.94422652   0.38944001  -1.12913160
 H    1.37452609  -1.59394709   1.78516206
 H    0.80949003  -3.16949084   1.16247709
 H    2.26729870  -2.41067757   0.47185299
 H    2.36661178   1.70194236   0.69397848
 H    1.19574233   0.89809222   1.78521634
 H    1.09047753   2.65625566   1.47798300
 23
 Energy -581.4402766243  Point 133  Step 8.934
 N    0.46647596   1.51887328  -0.16898370
 C    0.84628309   0.38545213  -1.02623355
 C   -0.97667788   1.69841920   0.09382211
 C    1.30030769   1.67620073   1.00756875
 Si   0.17967148  -1.32078494  -0.41530376
 C   -1.52497416  -0.80682716   0.28017565
 C   -1.90879882   0.55234080  -0.33828387
 C    1.26448140  -2.20825917   0.86996634
 H   -0.00088915  -2.24302566  -1.60022278
 H   -2.28837442  -1.57125746   0.05672810
 H   -1.47487148  -0.71787402   1.38143408
 H   -1.92345616   0.47455806  -1.44109560
 H   -2.93348194   0.84424622  -0.04312212
 H   -1.33163937   2.63081742  -0.39317515
 H   -1.12000087   1.84233063   1.18247958
 H    0.45748320   0.55359070  -2.04893857
 H    1.94539421   0.38912167  -1.12933396
 H    1.38107816  -1.59942924   1.78127588
 H    0.81217273  -3.17286112   1.15668526
 H    2.26853079  -2.41395714   0.46314936
 H    2.36215762   1.68992913   0.70841775
 H    1.18150155   0.88528564   1.78795152
 H    1.08440798   2.64525254   1.48832609
 23
 Energy -581.4404307024  Point 134  Step 9.096
 N    0.47233571   1.51926937  -0.17113678
 C    0.85242806   0.38464520  -1.02672092
 C   -0.97579873   1.72039922   0.04117123
 C    1.26713086   1.63631722   1.03849291
 Si   0.17443929  -1.31560446  -0.40767053
 C   -1.50991399  -0.78080654   0.32006349
 C   -1.90469806   0.55376156  -0.34354511
 C    1.28039378  -2.22288356   0.84543959
 H   -0.04624251  -2.23373101  -1.58903608
 H   -2.27773577  -1.55242615   0.13997830
 H   -1.43562653  -0.65452394   1.41615505
 H   -1.92209353   0.43338503  -1.44264288
 H   -2.93025951   0.85106260  -0.05674979
 H   -1.31479988   2.62427407  -0.50737048
 H   -1.14000088   1.92837461   1.11527589
 H    0.46913368   0.55561173  -2.05072330
 H    1.95232371   0.38197644  -1.12430915
 H    1.42827634  -1.62214734   1.75746186
 H    0.82521750  -3.18451842   1.13764927
 H    2.27087797  -2.43689081   0.41055341
 H    2.33902006   1.63037452   0.77697511
 H    1.10422900   0.83512972   1.79985045
 H    1.05575595   2.60114967   1.52907266
 23
 Energy -581.4406181103  Point 135  Step 9.313
 N    0.47999242   1.51920115  -0.17059896
 C    0.85928687   0.38452917  -1.02785977
 C   -0.97291320   1.74158777  -0.01588330
 C    1.23067868   1.58779201   1.07099928
 Si   0.16762990  -1.30981841  -0.39924530
 C   -1.49435085  -0.75105549   0.36081487
 C   -1.90127336   0.55568544  -0.34961264
 C    1.29928403  -2.23250576   0.81956307
 H   -0.09572300  -2.22770208  -1.57198554
 H   -2.26553291  -1.52848357   0.22591397
 H   -1.39752145  -0.58614296   1.44953473
 H   -1.92409155   0.38880421  -1.44262900
 H   -2.92699258   0.85736248  -0.06810767
 H   -1.29201103   2.61345756  -0.62389823
 H   -1.15927019   2.01123876   1.03998331
 H    0.47928131   0.56061117  -2.05164892
 H    1.95974662   0.37455194  -1.12272027
 H    1.48182030  -1.63796116   1.72930748
 H    0.84372292  -3.19021205   1.12368747
 H    2.27278039  -2.45483518   0.35179686
 H    2.31110858   1.56180955   0.84897204
 H    1.02151168   0.77380835   1.80633277
 H    1.01947837   2.54486477   1.57650628
 23
 Energy -581.4407766617  Point 136  Step 9.316
 N    0.48134970   1.52037539  -0.16926192
 C    0.86415191   0.38271155  -1.02027049
 C   -0.97187574   1.75034777  -0.04632875
 C    1.21769707   1.59008625   1.08185472
 Si   0.16686577  -1.30901061  -0.39587606
 C   -1.48580276  -0.74265992   0.37810186
 C   -1.90070984   0.55457173  -0.34528080
 C    1.29943741  -2.25220052   0.80559127
 H   -0.11318406  -2.21418093  -1.57454904
 H   -2.25900861  -1.52073168   0.25877426
 H   -1.37534341  -0.56687718   1.46394461
 H   -1.93170931   0.36980712  -1.43509021
 H   -2.92480584   0.85934709  -0.06128329
 H   -1.27934759   2.59528548  -0.69825512
 H   -1.16968421   2.07145834   0.99278019
 H    0.48643230   0.55858808  -2.04503517
 H    1.96512929   0.37191764  -1.10982692
 H    1.49462957  -1.66775163   1.71924771
 H    0.83767412  -3.20902692   1.10268301
 H    2.26731986  -2.47903036   0.32824548
 H    2.30029697   1.56405165   0.87018159
 H    1.00300153   0.77793024   1.81724943
 H    1.00329053   2.54940735   1.58139703
 23
 Energy -581.4409163269  Point 137  Step 9.428
 N    0.48454938   1.51769600  -0.17128749
 C    0.87247803   0.38371675  -1.02461532
 C   -0.96756444   1.75670220  -0.06721131
 C    1.19423143   1.56510122   1.09646884
 Si   0.16641489  -1.30443174  -0.39462463
 C   -1.47704730  -0.72967235   0.39237540
 C   -1.89939954   0.55728560  -0.34483566
 C    1.30101746  -2.25437118   0.80017210
 H   -0.12981656  -2.20769254  -1.57079186
 H   -2.25059195  -1.51028972   0.29243920
 H   -1.35529885  -0.53850395   1.47419144
 H   -1.93798312   0.35806248  -1.43227076
 H   -2.92218698   0.86455285  -0.05877843
 H   -1.26359404   2.58482964  -0.74433734
 H   -1.17104877   2.10628970   0.96045765
 H    0.49969736   0.56107474  -2.05103151
 H    1.97380093   0.37071698  -1.10951149
 H    1.50650804  -1.67064956   1.71192227
 H    0.83506295  -3.20805049   1.10142925
 H    2.26395049  -2.48804530   0.31630341
 H    2.28116536   1.53630219   0.90778512
 H    0.95934887   0.74285408   1.81447139
 H    0.97403448   2.51718270   1.60711809
 23
 Energy -581.441143202  Point 138  Step 9.577
 N    0.48967564   1.51796328  -0.17150663
 C    0.88533104   0.38498702  -1.02279449
 C   -0.96186006   1.76869538  -0.11336709
 C    1.15770011   1.53467970   1.11965109
 Si   0.16507998  -1.29852549  -0.39034577
 C   -1.46058641  -0.70737330   0.42091620
 C   -1.89805053   0.55984288  -0.34194205
 C    1.30370415  -2.27072816   0.78302076
 H   -0.16334394  -2.19147470  -1.56574735
 H   -2.23511421  -1.49067234   0.35667969
 H   -1.31576519  -0.48912619   1.49455654
 H   -1.95148727   0.33053851  -1.42300587
 H   -2.91785876   0.87275793  -0.05134292
 H   -1.23532843   2.55395050  -0.84820050
 H   -1.17983058   2.18498359   0.88523209
 H    0.52091269   0.56498240  -2.05160682
 H    1.98745990   0.36743926  -1.09624662
 H    1.53152839  -1.69464119   1.69420827
 H    0.82859143  -3.21927632   1.08612830
 H    2.25604855  -2.51608871   0.28398573
 H    2.25003706   1.50222761   0.96480491
 H    0.89631591   0.70017787   1.81352779
 H    0.92678258   2.47774738   1.64210069
 23
 Energy -581.4413626958  Point 139  Step 9.655
 N    0.49412337   1.52288809  -0.17192935
 C    0.90314235   0.38458517  -1.00987046
 C   -0.95576510   1.78093377  -0.16941955
 C    1.12063557   1.52230316   1.14032936
 Si   0.16508351  -1.29399470  -0.38538361
 C   -1.44270445  -0.68854674   0.45041293
 C   -1.89833951   0.56103225  -0.33210705
 C    1.29955893  -2.30204874   0.76066446
 H   -0.19586047  -2.16327809  -1.56859208
 H   -2.21810753  -1.47298604   0.42293841
 H   -1.26994693  -0.44720690   1.51459138
 H   -1.97642505   0.30111686  -1.40500234
 H   -2.91164077   0.88202594  -0.02809850
 H   -1.19965558   2.50362940  -0.97449985
 H   -1.19142019   2.28563474   0.78214835
 H    0.55722253   0.56467829  -2.04500215
 H    2.00654597   0.36069942  -1.06020467
 H    1.55125967  -1.74081823   1.67490479
 H    0.80830585  -3.24374351   1.05911680
 H    2.24072905  -2.56155636   0.24717636
 H    2.21736685   1.49540794   1.01670499
 H    0.84294106   0.67784642   1.81442722
 H    0.87227890   2.45853425   1.66731070
 23
 Energy -581.4414284417  Point 140  Step 9.642
 N    0.49754991   1.52333922  -0.17250298
 C    0.92541985   0.38103202  -0.99466142
 C   -0.94921400   1.78280875  -0.21176653
 C    1.09560672   1.53409775   1.15236387
 Si   0.16407755  -1.29178870  -0.38132981
 C   -1.43207590  -0.67687435   0.46765981
 C   -1.90241728   0.56206927  -0.32307226
 C    1.29178060  -2.32992758   0.74423850
 H   -0.22031223  -2.13999196  -1.57248429
 H   -2.20651151  -1.46266605   0.45610403
 H   -1.24849381  -0.42410684   1.52721451
 H   -2.01353830   0.28227741  -1.38770819
 H   -2.90571429   0.89034920   0.00502760
 H   -1.16923917   2.45428924  -1.06694755
 H   -1.19780425   2.34973452   0.70126544
 H    0.60865346   0.55776952  -2.03985445
 H    2.02984308   0.35245045  -1.01299672
 H    1.57208573  -1.77610914   1.65485219
 H    0.78342088  -3.26015308   1.04961127
 H    2.21784109  -2.61033417   0.21479959
 H    2.19525830   1.53797294   1.05217536
 H    0.82844755   0.67995739   1.81813948
 H    0.80942028   2.46101973   1.67626938
 23
 Energy -581.441432038  Point 141  Step 9.640
 N    0.49783990   1.52382617  -0.17276476
 C    0.92745025   0.38070240  -0.99293768
 C   -0.94877476   1.78305062  -0.21563434
 C    1.09298403   1.53541656   1.15337860
 Si   0.16380565  -1.29152401  -0.38044389
 C   -1.43108629  -0.67540207   0.46994157
 C   -1.90215132   0.56185535  -0.32306893
 C    1.29135711  -2.33327380   0.74188954
 H   -0.22391436  -2.13748932  -1.57213157
 H   -2.20540274  -1.46135254   0.45998653
 H   -1.24704600  -0.42090128   1.52894399
 H   -2.01426502   0.27945630  -1.38691517
 H   -2.90516429   0.89079320   0.00520784
 H   -1.16700491   2.45063829  -1.07430497
 H   -1.19875170   2.35437223   0.69423209
 H    0.61371729   0.55700094  -2.03911384
 H    2.03185980   0.35143537  -1.00784618
 H    1.57836013  -1.77955667   1.65047617
 H    0.77997379  -3.26070086   1.05072024
 H    2.21360357  -2.61877208   0.20851367
 H    2.19284917   1.53925809   1.05560335
 H    0.82436375   0.68172368   1.81913373
 H    0.80563330   2.46262121   1.67613268
 23
 Energy -581.4414250671  Point 142  Step 9.625
 N    0.49824686   1.52494790  -0.17345828
 C    0.93302036   0.37988344  -0.98799584
 C   -0.94781870   1.78335710  -0.22628918
 C    1.08639677   1.54161657   1.15578488
 Si   0.16338651  -1.29112384  -0.37836590
 C   -1.42733424  -0.67112288   0.47655127
 C   -1.90150220   0.56092897  -0.32279628
 C    1.28850428  -2.34423560   0.73565687
 H   -0.23243553  -2.12980089  -1.57245434
 H   -2.20146702  -1.45729673   0.47446880
 H   -1.23908795  -0.40967604   1.53306185
 H   -2.01643239   0.27168314  -1.38454440
 H   -2.90381869   0.89143565   0.00603320
 H   -1.16149501   2.43998616  -1.09444297
 H   -1.20137742   2.36655781   0.67497461
 H    0.62695929   0.55442617  -2.03676036
 H    2.03749282   0.34970227  -0.99464382
 H    1.58351784  -1.79568225   1.64485179
 H    0.77180064  -3.26898445   1.04365854
 H    2.20625809  -2.63454093   0.19716312
 H    2.18676659   1.55290090   1.06361318
 H    0.82050314   0.68667116   1.82095516
 H    0.78992906   2.46730279   1.67610162
 23
 Energy -581.4414076195  Point 143  Step 9.610
 N    0.49893060   1.52620476  -0.17437969
 C    0.93940343   0.37885147  -0.98238983
 C   -0.94644983   1.78379081  -0.23817412
 C    1.07896941   1.54823982   1.15831413
 Si   0.16306637  -1.29070217  -0.37623099
 C   -1.42365161  -0.66708953   0.48296570
 C   -1.90120650   0.56048235  -0.32152166
 C    1.28533618  -2.35569449   0.72917857
 H   -0.24058682  -2.12196403  -1.57299602
 H   -2.19762063  -1.45342401   0.48747020
 H   -1.23150244  -0.40089891   1.53751285
 H   -2.02141692   0.26388414  -1.38063010
 H   -2.90193178   0.89280415   0.01021654
 H   -1.15489357   2.42760417  -1.11706460
 H   -1.20376666   2.38073013   0.65294333
 H    0.64250930   0.55140229  -2.03416689
 H    2.04387973   0.34728538  -0.97937018
 H    1.58901911  -1.81268926   1.63886170
 H    0.76318994  -3.27762908   1.03649860
 H    2.19819192  -2.65103573   0.18508988
 H    2.17982456   1.56570577   1.07272022
 H    0.81421597   0.69276000   1.82319961
 H    0.77389838   2.47294575   1.67532169
 23
 Energy -581.4413915389  Point 144  Step 9.594
 N    0.49963654   1.52725290  -0.17521684
 C    0.94601822   0.37768126  -0.97657800
 C   -0.94495255   1.78392115  -0.25010726
 C    1.07152616   1.55535347   1.16087144
 Si   0.16260776  -1.29041683  -0.37440586
 C   -1.41986423  -0.66307782   0.48941012
 C   -1.90092331   0.55990559  -0.32013565
 C    1.28197945  -2.36679271   0.72284076
 H   -0.24867818  -2.11436539  -1.57360198
 H   -2.19369367  -1.44950378   0.50065863
 H   -1.22367068  -0.39167353   1.54177949
 H   -2.02677960   0.25614267  -1.37655921
 H   -2.89983630   0.89437221   0.01477893
 H   -1.14801747   2.41468558  -1.13956786
 H   -1.20587766   2.39446059   0.63062224
 H    0.65852335   0.54849879  -2.03126302
 H    2.05038288   0.34484778  -0.96360771
 H    1.59468357  -1.82872683   1.63247671
 H    0.75420796  -3.28545663   1.03025443
 H    2.18968330  -2.66759293   0.17318040
 H    2.17281885   1.57822556   1.08194775
 H    0.80718866   0.70021900   1.82628797
 H    0.75856785   2.47977206   1.67368049
 23
 Energy -581.4413704624  Point 145  Step 9.578
 N    0.50030530   1.52828089  -0.17605079
 C    0.95275598   0.37653012  -0.97068763
 C   -0.94341169   1.78393595  -0.26203693
 C    1.06413561   1.56264878   1.16324084
 Si   0.16234555  -1.29012372  -0.37274662
 C   -1.41605394  -0.65929605   0.49554553
 C   -1.90087367   0.55951985  -0.31823259
 C    1.27836249  -2.37804633   0.71663792
 H   -0.25644221  -2.10623816  -1.57469432
 H   -2.18971287  -1.44580175   0.51319615
 H   -1.21587787  -0.38332005   1.54587595
 H   -2.03302526   0.24898026  -1.37189490
 H   -2.89772375   0.89611991   0.02057991
 H   -1.14090404   2.40105455  -1.16220721
 H   -1.20792241   2.40867004   0.60757541
 H    0.67486993   0.54552572  -2.02830254
 H    2.05691338   0.34263495  -0.94750760
 H    1.59676770  -1.84467750   1.62717062
 H    0.74538893  -3.29402877   1.02351803
 H    2.18235056  -2.68282816   0.16307476
 H    2.16576878   1.59169615   1.09075945
 H    0.80096829   0.70755881   1.82914447
 H    0.74261888   2.48634755   1.67199205
 23
 Energy -581.4413112925  Point 146  Step 9.562
 N    0.50106218   1.52905165  -0.17693294
 C    0.95951986   0.37529922  -0.96490440
 C   -0.94162759   1.78385405  -0.27427359
 C    1.05653271   1.56996242   1.16561027
 Si   0.16231773  -1.28976070  -0.37097730
 C   -1.41239322  -0.65575182   0.50131813
 C   -1.90111783   0.55943353  -0.31580408
 C    1.27446041  -2.38893408   0.71068173
 H   -0.26305250  -2.09874735  -1.57544883
 H   -2.18595069  -1.44225280   0.52483075
 H   -1.20839561  -0.37581546   1.54982359
 H   -2.04099798   0.24248970  -1.36653978
 H   -2.89533862   0.89855229   0.02810792
 H   -1.13324751   2.38658227  -1.18531411
 H   -1.20915497   2.42312550   0.58369286
 H    0.69088618   0.54250910  -2.02520731
 H    2.06340744   0.34045836  -0.93189103
 H    1.59922295  -1.86265782   1.62300871
 H    0.73669308  -3.30340745   1.01324035
 H    2.17491101  -2.69647095   0.15288277
 H    2.15849409   1.60388908   1.09975756
 H    0.79364876   0.71581859   1.83280199
 H    0.72769378   2.49382289   1.66940768
 23
 Energy -581.4412654525  Point 147  Step 9.548
 N    0.50213340   1.52979540  -0.17781229
 C    0.96654143   0.37377945  -0.95884887
 C   -0.93937735   1.78365308  -0.28670580
 C    1.04855356   1.57752516   1.16819154
 Si   0.16211152  -1.28981195  -0.36994138
 C   -1.40871157  -0.65261762   0.50663305
 C   -1.90151497   0.55972827  -0.31239574
 C    1.27050774  -2.39896264   0.70521060
 H   -0.26925759  -2.09175311  -1.57698688
 H   -2.18229641  -1.43896095   0.53542532
 H   -1.20054702  -0.37004476   1.55352878
 H   -2.05078646   0.23686302  -1.35996910
 H   -2.89237042   0.90187150   0.03807110
 H   -1.12495008   2.37070545  -1.20905621
 H   -1.21023495   2.43851773   0.55834308
 H    0.70805760   0.53945093  -2.02199552
 H    2.07001983   0.33775208  -0.91529524
 H    1.60047469  -1.87765881   1.61852809
 H    0.72834014  -3.31141322   1.00593009
 H    2.16784688  -2.70964264   0.14407555
 H    2.15087290   1.61287706   1.10946508
 H    0.78244253   0.72625184   1.83765206
 H    0.71462604   2.50320019   1.66526529
 23
 Energy -581.4412088434  Point 148  Step 9.533
 N    0.50319401   1.52997071  -0.17864541
 C    0.97360645   0.37208043  -0.95299385
 C   -0.93699493   1.78320237  -0.29901164
 C    1.04044389   1.58526461   1.17076088
 Si   0.16209205  -1.28976876  -0.36932007
 C   -1.40500479  -0.64986209   0.51150466
 C   -1.90228766   0.56026667  -0.30830496
 C    1.26636974  -2.40828565   0.70018964
 H   -0.27479475  -2.08522742  -1.57866115
 H   -2.17849672  -1.43616059   0.54491279
 H   -1.19277321  -0.36555643   1.55706395
 H   -2.06226790   0.23208713  -1.35261555
 H   -2.88918681   0.90555428   0.05011821
 H   -1.11631307   2.35435712  -1.23242671
 H   -1.21012356   2.45363168   0.53294520
 H    0.72541530   0.53662390  -2.01879144
 H    2.07655980   0.33446434  -0.89864876
 H    1.60038118  -1.89187540   1.61489192
 H    0.71978598  -3.31889334   0.99857287
 H    2.16120173  -2.72170087   0.13666413
 H    2.14325087   1.61493334   1.11910329
 H    0.76598078   0.74073368   1.84522524
 H    0.70782707   2.51664081   1.65817830
 23
 Energy -581.4411486581  Point 149  Step 9.524
 N    0.50412373   1.53022462  -0.17932204
 C    0.98079955   0.37090832  -0.94747125
 C   -0.93472341   1.78250970  -0.31123874
 C    1.03268281   1.59136187   1.17321537
 Si   0.16238649  -1.28942328  -0.36887362
 C   -1.40145761  -0.64725721   0.51571667
 C   -1.90349664   0.56104279  -0.30395456
 C    1.26187487  -2.41696342   0.69603436
 H   -0.27891326  -2.07849442  -1.58079749
 H   -2.17464453  -1.43371541   0.55327943
 H   -1.18536639  -0.36175010   1.56006367
 H   -2.07519618   0.22818464  -1.34482142
 H   -2.88583773   0.90970911   0.06342655
 H   -1.10740449   2.33731324  -1.25560971
 H   -1.21077908   2.46857880   0.50683339
 H    0.74264444   0.53430176  -2.01580863
 H    2.08315763   0.33244195  -0.88250693
 H    1.59871017  -1.90531613   1.61235549
 H    0.71114241  -3.32599773   0.99144698
 H    2.15504266  -2.73260928   0.13100784
 H    2.13560609   1.62789809   1.12845998
 H    0.76065948   0.74643175   1.84782822
 H    0.69190090   2.52216279   1.65646547
 23
 Energy -581.441079934  Point 150  Step 9.516
 N    0.50513743   1.53055832  -0.18006438
 C    0.98847844   0.36969017  -0.94155081
 C   -0.93222180   1.78184079  -0.32366697
 C    1.02483938   1.59701187   1.17554621
 Si   0.16282213  -1.28924126  -0.36882035
 C   -1.39810887  -0.64496098   0.51922904
 C   -1.90503880   0.56246669  -0.29895683
 C    1.25716046  -2.42517127   0.69247501
 H   -0.28186140  -2.07201186  -1.58351566
 H   -2.17123049  -1.43133650   0.56075447
 H   -1.17765793  -0.35893422   1.56253854
 H   -2.09014798   0.22563449  -1.33617784
 H   -2.88197929   0.91494345   0.07901021
 H   -1.09809461   2.31958561  -1.27894551
 H   -1.21005078   2.48384486   0.48007831
 H    0.76104193   0.53165562  -2.01242770
 H    2.09007374   0.33014691  -0.86532578
 H    1.59637873  -1.91757348   1.61026285
 H    0.70219432  -3.33246618   0.98543637
 H    2.14882035  -2.74322789   0.12656495
 H    2.12760252   1.64709028   1.13784087
 H    0.75786727   0.74838749   1.84768123
 H    0.66834175   2.52232833   1.65745816
 23
 Energy -581.4410013788  Point 151  Step 9.507
 N    0.50642652   1.53049467  -0.18079399
 C    0.99618260   0.36809030  -0.93558961
 C   -0.92934742   1.78091216  -0.33657411
 C    1.01650927   1.60353000   1.17814593
 Si   0.16319586  -1.28925188  -0.36915673
 C   -1.39483550  -0.64328048   0.52229270
 C   -1.90680943   0.56423830  -0.29282801
 C    1.25244024  -2.43276386   0.68915513
 H   -0.28426179  -2.06613526  -1.58662299
 H   -2.16808710  -1.42941922   0.56671870
 H   -1.17033306  -0.35809591   1.56489728
 H   -2.10759954   0.22410380  -1.32592722
 H   -2.87716687   0.92103071   0.09762604
 H   -1.08777147   2.29993465  -1.30327256
 H   -1.20731685   2.50008800   0.45173800
 H    0.77976314   0.52925184  -2.00895897
 H    2.09689760   0.32729359  -0.84790839
 H    1.59329677  -1.92884180   1.60831923
 H    0.69349545  -3.33834863   0.97964124
 H    2.14309550  -2.75321876   0.12288035
 H    2.11939764   1.65655830   1.14785248
 H    0.74725304   0.75705053   1.85189756
 H    0.65385534   2.52979277   1.65367604
 23
 Energy -581.4409121617  Point 152  Step 9.500
 N    0.50786092   1.53051966  -0.18136632
 C    1.00367747   0.36652924  -0.92970207
 C   -0.92605372   1.77956759  -0.34945808
 C    1.00842518   1.60992526   1.18062587
 Si   0.16361056  -1.28932149  -0.36977268
 C   -1.39184064  -0.64195064   0.52492076
 C   -1.90876173   0.56632323  -0.28607595
 C    1.24777750  -2.43975741   0.68625907
 H   -0.28586488  -2.06061645  -1.58995717
 H   -2.16528536  -1.42784989   0.57134372
 H   -1.16335925  -0.35871700   1.56720679
 H   -2.12675518   0.22360399  -1.31471160
 H   -2.87156637   0.92799695   0.11828671
 H   -1.07697651   2.27864491  -1.32764028
 H   -1.20827557   2.51600821   0.42120815
 H    0.79782626   0.52710370  -2.00529461
 H    2.10341182   0.32444777  -0.83109796
 H    1.58931339  -1.93933430   1.60721614
 H    0.68543988  -3.34420090   0.97386645
 H    2.13788971  -2.76182016   0.12024876
 H    2.11137255   1.66529517   1.15772534
 H    0.73648013   0.76578707   1.85612548
 H    0.64029108   2.53735030   1.64970125
 23
 Energy -581.4408234098  Point 153  Step 9.493
 N    0.50914371   1.53016735  -0.18195988
 C    1.01131848   0.36484934  -0.92385564
 C   -0.92288774   1.77815996  -0.36215446
 C    1.00031775   1.61630285   1.18295961
 Si   0.16418383  -1.28943595  -0.37047424
 C   -1.38886566  -0.64079939   0.52684498
 C   -1.91099549   0.56882678  -0.27893667
 C    1.24297603  -2.44643886   0.68373009
 H   -0.28677731  -2.05505361  -1.59363901
 H   -2.16238933  -1.42653858   0.57530213
 H   -1.15623588  -0.35984211   1.56877726
 H   -2.14682418   0.22438087  -1.30288147
 H   -2.86552406   0.93530745   0.14010738
 H   -1.06610652   2.25723520  -1.35130575
 H   -1.20672623   2.53173974   0.39114905
 H    0.81626494   0.52473415  -2.00164121
 H    2.10995143   0.32171901  -0.81394545
 H    1.58465970  -1.94921267   1.60631102
 H    0.67744280  -3.34975820   0.96833899
 H    2.13304420  -2.76988898   0.11826479
 H    2.10328997   1.67425708   1.16756322
 H    0.72571899   0.77462880   1.86031508
 H    0.62656734   2.54493755   1.64525754
 23
 Energy -581.4407098078  Point 154  Step 9.487
 N    0.51042688   1.52989982  -0.18244850
 C    1.01880962   0.36331203  -0.91815258
 C   -0.91969442   1.77653100  -0.37459987
 C    0.99238476   1.62265508   1.18522991
 Si   0.16493368  -1.28964563  -0.37162373
 C   -1.38590505  -0.64006243   0.52815820
 C   -1.91327201   0.57152545  -0.27117253
 C    1.23781227  -2.45263143   0.68185512
 H   -0.28641703  -2.05021848  -1.59780706
 H   -2.15939513  -1.42580096   0.57849624
 H   -1.14882657  -0.36222345   1.56999206
 H   -2.16779451   0.22622599  -1.29024683
 H   -2.85890137   0.94299965   0.16340579
 H   -1.05522412   2.23464550  -1.37454489
 H   -1.20509452   2.54719266   0.36056465
 H    0.83362037   0.52262727  -1.99776705
 H    2.11631580   0.31935019  -0.79793644
 H    1.57904411  -1.95807580   1.60622680
 H    0.66884887  -3.35471270   0.96373727
 H    2.12811479  -2.77768914   0.11793594
 H    2.09529790   1.68324495   1.17660064
 H    0.71550961   0.78330447   1.86441670
 H    0.61312568   2.55222375   1.64118404
 23
 Energy -581.4406407354  Point 155  Step 9.481
 N    0.51176919   1.52958555  -0.18302197
 C    1.02629543   0.36177799  -0.91220497
 C   -0.91642857   1.77470586  -0.38677709
 C    0.98443221   1.62895372   1.18732398
 Si   0.16577155  -1.28991889  -0.37329990
 C   -1.38325437  -0.63969945   0.52929925
 C   -1.91557182   0.57453975  -0.26303949
 C    1.23262080  -2.45832491   0.68056604
 H   -0.28541115  -2.04612970  -1.60219824
 H   -2.15692491  -1.42522894   0.58066937
 H   -1.14189574  -0.36547764   1.57106358
 H   -2.18920557   0.22910825  -1.27691572
 H   -2.85153979   0.95110015   0.18743862
 H   -1.04450760   2.21196844  -1.39684722
 H   -1.20312232   2.56197250   0.33009766
 H    0.85199203   0.52064540  -1.99382486
 H    2.12250463   0.31655620  -0.78140034
 H    1.57278974  -1.96601300   1.60638540
 H    0.66023253  -3.35904710   0.95960280
 H    2.12347053  -2.78529299   0.11839876
 H    2.08727812   1.69143053   1.18570796
 H    0.70455932   0.79219519   1.86831699
 H    0.60033116   2.55986089   1.63656674
 23
 Energy -581.440546215  Point 156  Step 9.475
 N    0.51313076   1.52917364  -0.18366107
 C    1.03379887   0.36003371  -0.90637953
 C   -0.91309652   1.77268696  -0.39878671
 C    0.97643016   1.63519134   1.18929160
 Si   0.16649551  -1.29028240  -0.37488672
 C   -1.38082974  -0.63942759   0.52990268
 C   -1.91783303   0.57787609  -0.25469361
 C    1.22775286  -2.46353388   0.67928739
 H   -0.28412055  -2.04211457  -1.60655604
 H   -2.15484249  -1.42464402   0.58194433
 H   -1.13538510  -0.36938737   1.57188087
 H   -2.21142546   0.23286618  -1.26300957
 H   -2.84349599   0.95973204   0.21231988
 H   -1.03376320   2.18899887  -1.41838505
 H   -1.20107019   2.57593424   0.29958173
 H    0.87086861   0.51850311  -1.98982164
 H    2.12847140   0.31372888  -0.76330274
 H    1.56708774  -1.97323511   1.60659799
 H    0.65202194  -3.36291923   0.95612090
 H    2.11895174  -2.79242589   0.11902513
 H    2.07927702   1.69768515   1.19491639
 H    0.69205968   0.80194556   1.87264533
 H    0.58911875   2.56842265   1.63104103
 23
 Energy -581.440438353  Point 157  Step 9.470
 N    0.51443138   1.52867304  -0.18423579
 C    1.04106827   0.35831288  -0.90058996
 C   -0.90978819   1.77058182  -0.41062581
 C    0.96860364   1.64131814   1.19112120
 Si   0.16733543  -1.29070605  -0.37654235
 C   -1.37855973  -0.63944318   0.53003190
 C   -1.92003434   0.58153674  -0.24603908
 C    1.22284542  -2.46850021   0.67832862
 H   -0.28245933  -2.03823956  -1.61115177
 H   -2.15306741  -1.42417539   0.58242401
 H   -1.12903544  -0.37399392   1.57217995
 H   -2.23419244   0.23789254  -1.24841554
 H   -2.83440881   0.96864027   0.23819537
 H   -1.02303758   2.16541432  -1.43944361
 H   -1.19879285   2.58965282   0.26878141
 H    0.88918244   0.51652364  -1.98575320
 H    2.13418472   0.31103372  -0.74628398
 H    1.56121883  -1.97954547   1.60663171
 H    0.64432742  -3.36661284   0.95309805
 H    2.11458690  -2.79913202   0.11975003
 H    2.07136678   1.70383586   1.20395593
 H    0.67912858   0.81200841   1.87696004
 H    0.57814968   2.57687675   1.62523111
 23
 Energy -581.4403442987  Point 158  Step 9.467
 N    0.51582557   1.52825853  -0.18489879
 C    1.04821189   0.35660980  -0.89482442
 C   -0.90640858   1.76828104  -0.42233094
 C    0.96079974   1.64721059   1.19281434
 Si   0.16821296  -1.29104152  -0.37819770
 C   -1.37664576  -0.63970128   0.52979239
 C   -1.92217578   0.58541008  -0.23713594
 C    1.21810778  -2.47310564   0.67752751
 H   -0.28022987  -2.03458958  -1.61558543
 H   -2.15157386  -1.42411524   0.58166111
 H   -1.12361194  -0.37958197   1.57255150
 H   -2.25754725   0.24382162  -1.23321300
 H   -2.82460333   0.97813066   0.26469145
 H   -1.01217314   2.14103744  -1.45995593
 H   -1.19648140   2.60289551   0.23738997
 H    0.90726516   0.51437261  -1.98152678
 H    2.13966972   0.30822656  -0.72950963
 H    1.55512647  -1.98599035   1.60744210
 H    0.63646068  -3.36998795   0.95001462
 H    2.11046851  -2.80550954   0.12124924
 H    2.06341489   1.71047011   1.21263560
 H    0.66724070   0.82095381   1.88053482
 H    0.56666172   2.58444750   1.62002852
 23
 Energy -581.4402537648  Point 159  Step 9.464
 N    0.51729918   1.52804176  -0.18562435
 C    1.05524912   0.35500135  -0.88911541
 C   -0.90303857   1.76556962  -0.43398607
 C    0.95310986   1.65299442   1.19441247
 Si   0.16910047  -1.29139541  -0.37979033
 C   -1.37502298  -0.64014667   0.52920131
 C   -1.92425812   0.58959948  -0.22790443
 C    1.21342682  -2.47759091   0.67694196
 H   -0.27733289  -2.03102661  -1.62027707
 H   -2.15043440  -1.42416534   0.57987533
 H   -1.11887215  -0.38587924   1.57260139
 H   -2.28064629   0.25069152  -1.21739892
 H   -2.81416257   0.98777831   0.29134530
 H   -1.00153182   2.11606665  -1.47992065
 H   -1.19406121   2.61543879   0.20570973
 H    0.92471561   0.51226135  -1.97727861
 H    2.14501102   0.30565304  -0.71327445
 H    1.54939832  -1.99168531   1.60775864
 H    0.62906670  -3.37320505   0.94736611
 H    2.10640698  -2.81160830   0.12242457
 H    2.05553516   1.71682229   1.22132291
 H    0.65517155   0.82975974   1.88372618
 H    0.55548992   2.59194078   1.61471590
 23
 Energy -581.440167107  Point 160  Step 9.460
 N    0.51867313   1.52785207  -0.18644840
 C    1.06220486   0.35335738  -0.88328163
 C   -0.89973958   1.76279532  -0.44535175
 C    0.94540400   1.65890566   1.19576342
 Si   0.17007549  -1.29174104  -0.38144802
 C   -1.37347926  -0.64073596   0.52837068
 C   -1.92608936   0.59386315  -0.21864145
 C    1.20865198  -2.48198441   0.67641334
 H   -0.27386782  -2.02769553  -1.62492362
 H   -2.14952716  -1.42420262   0.57810678
 H   -1.11389929  -0.39231332   1.57246856
 H   -2.30393470   0.25811115  -1.20109600
 H   -2.80292248   0.99772503   0.31818669
 H   -0.99125999   2.09114880  -1.49889572
 H   -1.19171379   2.62699852   0.17443190
 H    0.94239766   0.50988334  -1.97277727
 H    2.15010560   0.30295595  -0.69655883
 H    1.54393336  -1.99770590   1.60846622
 H    0.62111218  -3.37612167   0.94514471
 H    2.10177144  -2.81837994   0.12380933
 H    2.04761232   1.72294886   1.22969914
 H    0.64288786   0.83883864   1.88678605
 H    0.54474872   2.59969691   1.60912881
 23
 Energy -581.4400875213  Point 161  Step 9.458
 N    0.52011866   1.52759714  -0.18731464
 C    1.06891886   0.35158661  -0.87751911
 C   -0.89642467   1.75983139  -0.45653314
 C    0.93787757   1.66460261   1.19698782
 Si   0.17090535  -1.29216684  -0.38314250
 C   -1.37221649  -0.64140846   0.52736107
 C   -1.92778147   0.59840255  -0.20914793
 C    1.20424503  -2.48585801   0.67607896
 H   -0.27031519  -2.02457420  -1.62970379
 H   -2.14888103  -1.42435601   0.57562560
 H   -1.10932689  -0.39910309   1.57203054
 H   -2.32712218   0.26663613  -1.18428012
 H   -2.79076869   1.00795347   0.34523368
 H   -0.98103029   2.06548736  -1.51732768
 H   -1.18936921   2.63818404   0.14271620
 H    0.95939718   0.50743599  -1.96828133
 H    2.15495547   0.30030016  -0.68054201
 H    1.53519458  -2.00431965   1.61102486
 H    0.61474756  -3.38004350   0.94005722
 H    2.09969676  -2.82145017   0.12662792
 H    2.03982639   1.72877401   1.23786887
 H    0.63067848   0.84773162   1.88963283
 H    0.53436037   2.60725237   1.60341785
 23
 Energy -581.4400109109  Point 162  Step 9.456
 N    0.52155741   1.52734970  -0.18810022
 C    1.07553808   0.34994032  -0.87187502
 C   -0.89309410   1.75659333  -0.46760458
 C    0.93051828   1.67024457   1.19809787
 Si   0.17169997  -1.29264368  -0.38482831
 C   -1.37118704  -0.64221185   0.52599482
 C   -1.92931603   0.60314662  -0.19952708
 C    1.19975680  -2.48956009   0.67591887
 H   -0.26651381  -2.02141252  -1.63446313
 H   -2.14872624  -1.42444163   0.57250768
 H   -1.10535520  -0.40667406   1.57161463
 H   -2.35069281   0.27607833  -1.16680666
 H   -2.77771132   1.01848153   0.37277421
 H   -0.97071379   2.03916603  -1.53514919
 H   -1.18714902   2.64860290   0.11062913
 H    0.97597226   0.50493056  -1.96370698
 H    2.15960489   0.29760660  -0.66464658
 H    1.52665850  -2.00919935   1.61302184
 H    0.61022586  -3.38502595   0.93557713
 H    2.09791851  -2.82310053   0.12976393
 H    2.03214488   1.73494671   1.24581946
 H    0.61894617   0.85630922   1.89219653
 H    0.52393180   2.61449518   1.59784900
 23
 Energy -581.4399448871  Point 163  Step 9.454
 N    0.52294303   1.52729354  -0.18902894
 C    1.08219913   0.34829014  -0.86597076
 C   -0.88995090   1.75316579  -0.47843794
 C    0.92311375   1.67611859   1.19901343
 Si   0.17253772  -1.29309614  -0.38659346
 C   -1.37019265  -0.64315192   0.52452639
 C   -1.93056524   0.60789991  -0.18985258
 C    1.19512696  -2.49332791   0.67582191
 H   -0.26201296  -2.01850821  -1.63941305
 H   -2.14847675  -1.42473840   0.56913390
 H   -1.10134095  -0.41426312   1.57084754
 H   -2.37332757   0.28581343  -1.14907406
 H   -2.76401103   1.02874221   0.39988757
 H   -0.96100195   2.01261884  -1.55215709
 H   -1.18509326   2.65825262   0.07876082
 H    0.99369309   0.50260893  -1.95894141
 H    2.16409266   0.29497617  -0.64799858
 H    1.52021677  -2.01384183   1.61393660
 H    0.60339888  -3.38790745   0.93330780
 H    2.09432186  -2.82808627   0.13194972
 H    2.02436090   1.74157256   1.25348822
 H    0.60737319   0.86501068   1.89446587
 H    0.51336068   2.62187115   1.59207421
 23
 Energy -581.4398885298  Point 164  Step 9.451
 N    0.52432844   1.52728100  -0.19007683
 C    1.08885124   0.34666201  -0.86004727
 C   -0.88683641   1.74950159  -0.48911594
 C    0.91569688   1.68209454   1.19973454
 Si   0.17343565  -1.29350469  -0.38828826
 C   -1.36934810  -0.64415293   0.52291393
 C   -1.93157242   0.61271593  -0.18013884
 C    1.19047253  -2.49708918   0.67568171
 H   -0.25816706  -2.01526426  -1.64410763
 H   -2.14842855  -1.42508505   0.56524714
 H   -1.09784062  -0.42226810   1.57017514
 H   -2.39584928   0.29619489  -1.13090654
 H   -2.74959702   1.03923548   0.42683600
 H   -0.95162638   1.98615895  -1.56833530
 H   -1.18308800   2.66687488   0.04715347
 H    1.01108179   0.49998406  -1.95394279
 H    2.16843005   0.29236656  -0.63121688
 H    1.51333276  -2.01886302   1.61531618
 H    0.59643114  -3.39089081   0.93074946
 H    2.09086255  -2.83292425   0.13465304
 H    2.01653816   1.74803528   1.26102146
 H    0.59554017   0.87391559   1.89654829
 H    0.50306266   2.62942265   1.58606048
 23
 Energy -581.4398407654  Point 165  Step 9.449
 N    0.52576156   1.52733640  -0.19124527
 C    1.09540667   0.34498742  -0.85408952
 C   -0.88375467   1.74564453  -0.49961194
 C    0.90824453   1.68789570   1.20031614
 Si   0.17428497  -1.29385732  -0.38993488
 C   -1.36876068  -0.64528402   0.52113180
 C   -1.93230933   0.61771345  -0.17034149
 C    1.18590106  -2.50066723   0.67565161
 H   -0.25377490  -2.01225268  -1.64887679
 H   -2.14867885  -1.42547900   0.56087814
 H   -1.09472590  -0.43063816   1.56926556
 H   -2.41799954   0.30746212  -1.11237176
 H   -2.73429565   1.04984791   0.45363474
 H   -0.94270375   1.95954986  -1.58380851
 H   -1.18102740   2.67486588   0.01551435
 H    1.02887901   0.49745409  -1.94890452
 H    2.17256557   0.28964095  -0.61438587
 H    1.50676925  -2.02362901   1.61652567
 H    0.58990870  -3.39378922   0.92827583
 H    2.08742965  -2.83737534   0.13691326
 H    2.00863105   1.75416666   1.26848466
 H    0.58342510   0.88264759   1.89830595
 H    0.49292029   2.63682917   1.57991565
 23
 Energy -581.439808936  Point 166  Step 9.447
 N    0.52710838   1.52735932  -0.19236679
 C    1.10181893   0.34330707  -0.84806833
 C   -0.88076092   1.74158097  -0.50998502
 C    0.90093513   1.69371056   1.20074437
 Si   0.17506690  -1.29432704  -0.39163522
 C   -1.36831369  -0.64636500   0.51915349
 C   -1.93289462   0.62290454  -0.16045298
 C    1.18151746  -2.50402386   0.67566344
 H   -0.24909510  -2.00948160  -1.65364443
 H   -2.14920513  -1.42569740   0.55619006
 H   -1.09180679  -0.43901765   1.56821731
 H   -2.43981323   0.31925256  -1.09327082
 H   -2.71833261   1.06063183   0.48039261
 H   -0.93383129   1.93249548  -1.59862607
 H   -1.17892314   2.68215903  -0.01616270
 H    1.04636699   0.49468866  -1.94362596
 H    2.17644827   0.28702246  -0.59754261
 H    1.49983499  -2.02783586   1.61791526
 H    0.58404888  -3.39687548   0.92589782
 H    2.08447998  -2.84099858   0.13963280
 H    2.00084567   1.76024069   1.27561081
 H    0.57153909   0.89141016   1.89997352
 H    0.48316244   2.64425235   1.57372743
 23
 Energy -581.4397800801  Point 167  Step 9.446
 N    0.52849271   1.52753785  -0.19364352
 C    1.10793518   0.34176322  -0.84232364
 C   -0.87786635   1.73741452  -0.51998877
 C    0.89382170   1.69948304   1.20102019
 Si   0.17593524  -1.29475079  -0.39330873
 C   -1.36806709  -0.64776611   0.51692493
 C   -1.93313009   0.62815046  -0.15034911
 C    1.17700457  -2.50725173   0.67593097
 H   -0.24385711  -2.00710824  -1.65831542
 H   -2.15006727  -1.42610203   0.55073160
 H   -1.08939067  -0.44825150   1.56696258
 H   -2.46120656   0.33189317  -1.07365938
 H   -2.70137385   1.07131562   0.50723370
 H   -0.92547399   1.90512049  -1.61258888
 H   -1.17722924   2.68870799  -0.04760660
 H    1.06333644   0.49228522  -1.93852443
 H    2.18002459   0.28451585  -0.58139128
 H    1.49133690  -2.03282022   1.62038834
 H    0.57829951  -3.40041704   0.92190996
 H    2.08221146  -2.84343832   0.14312204
 H    1.99322039   1.76610805   1.28248183
 H    0.55970739   0.90005102   1.90127704
 H    0.47378252   2.65162050   1.56747024
 23
 Energy -581.439758691  Point 168  Step 9.445
 N    0.52992043   1.52794326  -0.19511504
 C    1.11405335   0.34031504  -0.83656029
 C   -0.87505925   1.73310242  -0.52976880
 C    0.88656456   1.70502907   1.20110674
 Si   0.17694292  -1.29506590  -0.39487778
 C   -1.36807216  -0.64934682   0.51445668
 C   -1.93308278   0.63354141  -0.14013380
 C    1.17246357  -2.51053054   0.67623485
 H   -0.23863420  -2.00419819  -1.66301133
 H   -2.15117784  -1.42668345   0.54411686
 H   -1.08785300  -0.45824439   1.56575697
 H   -2.48219924   0.34517342  -1.05352908
 H   -2.68369243   1.08215422   0.53384851
 H   -0.91754919   1.87787381  -1.62573091
 H   -1.17547818   2.69452676  -0.07874839
 H    1.08000171   0.48932987  -1.93336026
 H    2.18351973   0.28226301  -0.56533498
 H    1.48404551  -2.03731120   1.62225258
 H    0.57168518  -3.40314750   0.91920647
 H    2.07911828  -2.84740753   0.14638265
 H    1.98540001   1.77170719   1.28934935
 H    0.54762874   0.90819986   1.90201957
 H    0.46431714   2.65861192   1.56133818
 23
 Energy -581.4397586665  Point 169  Step 9.444
 N    0.53135211   1.52832144  -0.19664968
 C    1.12030100   0.33879627  -0.83053219
 C   -0.87223621   1.72842777  -0.53977252
 C    0.87911097   1.71074280   1.20108187
 Si   0.17791687  -1.29532960  -0.39633430
 C   -1.36825089  -0.65079725   0.51195419
 C   -1.93277767   0.63911249  -0.12984841
 C    1.16793877  -2.51392215   0.67637857
 H   -0.23346867  -2.00122875  -1.66757240
 H   -2.15246215  -1.42716731   0.53711133
 H   -1.08687034  -0.46829692   1.56452054
 H   -2.50328721   0.35926113  -1.03262889
 H   -2.66473719   1.09337688   0.56055827
 H   -0.90966696   1.84975114  -1.63866462
 H   -1.17393759   2.69959052  -0.11065990
 H    1.09705335   0.48632757  -1.92780550
 H    2.18697947   0.27990305  -0.54880649
 H    1.47795969  -2.04164264   1.62339738
 H    0.56502338  -3.40556266   0.91751037
 H    2.07542440  -2.85218827   0.14881423
 H    1.97731275   1.77791646   1.29623031
 H    0.53561221   0.91636216   1.90259119
 H    0.45430644   2.66556673   1.55508683
 23
 Energy -581.4397657527  Point 170  Step 9.442
 N    0.53284296   1.52886915  -0.19834526
 C    1.12654768   0.33724367  -0.82432103
 C   -0.86948085   1.72356348  -0.54953114
 C    0.87168797   1.71691727   1.20082309
 Si   0.17874624  -1.29565046  -0.39776071
 C   -1.36845830  -0.65228184   0.50957585
 C   -1.93209504   0.64456071  -0.11963824
 C    1.16329671  -2.51748700   0.67642637
 H   -0.22824763  -1.99821847  -1.67219134
 H   -2.15381398  -1.42757291   0.53045181
 H   -1.08566151  -0.47825094   1.56326799
 H   -2.52326574   0.37346559  -1.01167507
 H   -2.64534264   1.10427519   0.58648879
 H   -0.90237952   1.82177576  -1.65078467
 H   -1.17257869   2.70379309  -0.14219065
 H    1.11483749   0.48322697  -1.92199374
 H    2.19018293   0.27746160  -0.53157908
 H    1.47060366  -2.04686476   1.62515928
 H    0.55858376  -3.40884426   0.91412409
 H    2.07219769  -2.85575280   0.15132298
 H    1.96921667   1.78395099   1.30289977
 H    0.52294538   0.92554658   1.90311885
 H    0.44497335   2.67344331   1.54803253
 23
 Energy -581.4397803536  Point 171  Step 9.440
 N    0.53426815   1.52951361  -0.20011108
 C    1.13275992   0.33577241  -0.81796484
 C   -0.86682992   1.71847051  -0.55921217
 C    0.86426855   1.72322518   1.20038500
 Si   0.17956590  -1.29587482  -0.39913290
 C   -1.36864685  -0.65375369   0.50738975
 C   -1.93105101   0.64992382  -0.10954280
 C    1.15853877  -2.52119724   0.67627149
 H   -0.22339973  -1.99481548  -1.67676413
 H   -2.15517918  -1.42791082   0.52387739
 H   -1.08470341  -0.48809559   1.56218407
 H   -2.54230888   0.38754855  -0.99052434
 H   -2.62544295   1.11511587   0.61156864
 H   -0.89525555   1.79351320  -1.66233859
 H   -1.17147947   2.70716755  -0.17368234
 H    1.13270013   0.48003752  -1.91592620
 H    2.19319490   0.27507676  -0.51410219
 H    1.46295370  -2.05227882   1.62679608
 H    0.55174861  -3.41201282   0.91075832
 H    2.06890257  -2.86007787   0.15414015
 H    1.96108813   1.79029888   1.30931885
 H    0.51050345   0.93474271   1.90343577
 H    0.43558311   2.68131861   1.54092004
 23
 Energy -581.4398059474  Point 172  Step 9.439
 N    0.53574787   1.53017158  -0.20196791
 C    1.13884972   0.33434104  -0.81179102
 C   -0.86419652   1.71320980  -0.56873808
 C    0.85684592   1.72913871   1.19983517
 Si   0.18044559  -1.29598268  -0.40037452
 C   -1.36924940  -0.65536747   0.50483447
 C   -1.92977154   0.65553238  -0.09926134
 C    1.15390406  -2.52463478   0.67630546
 H   -0.21818951  -1.99182169  -1.68100664
 H   -2.15677306  -1.42855771   0.51561017
 H   -1.08493891  -0.49897806   1.56099729
 H   -2.56126904   0.40267713  -0.96863044
 H   -2.60440549   1.12621227   0.63680897
 H   -0.88850146   1.76511736  -1.67321964
 H   -1.17032986   2.70986654  -0.20504802
 H    1.15007495   0.47686307  -1.90991803
 H    2.19608669   0.27289051  -0.49722133
 H    1.45602610  -2.05724551   1.62832019
 H    0.54517133  -3.41490284   0.90777816
 H    2.06543855  -2.86413407   0.15659228
 H    1.95287151   1.79694322   1.31562063
 H    0.49861041   0.94290149   1.90318013
 H    0.42562242   2.68829586   1.53422240
 23
 Energy -581.4398418317  Point 173  Step 9.438
 N    0.53730862   1.53090877  -0.20400625
 C    1.14486887   0.33285456  -0.80558782
 C   -0.86161354   1.70790086  -0.57797224
 C    0.84932523   1.73502788   1.19913438
 Si   0.18127597  -1.29615852  -0.40160763
 C   -1.37007455  -0.65708881   0.50207403
 C   -1.92815242   0.66129102  -0.08890258
 C    1.14940491  -2.52793880   0.67640108
 H   -0.21276712  -1.98895519  -1.68523566
 H   -2.15910536  -1.42875313   0.50699007
 H   -1.08566560  -0.51016954   1.55963829
 H   -2.57964262   0.41852520  -0.94629321
 H   -2.58262466   1.13716526   0.66183095
 H   -0.88225570   1.73697885  -1.68328526
 H   -1.16918167   2.71192581  -0.23590915
 H    1.16759975   0.47344555  -1.90377535
 H    2.19873582   0.27048387  -0.48012728
 H    1.44921588  -2.06205174   1.62993178
 H    0.53895941  -3.41779084   0.90494706
 H    2.06208509  -2.86779641   0.15896753
 H    1.94452506   1.80281248   1.32202297
 H    0.48582225   0.95141996   1.90275177
 H    0.41623218   2.69560404   1.52710247
 23
 Energy -581.4398971443  Point 174  Step 9.437
 N    0.53881011   1.53183957  -0.20616292
 C    1.15087067   0.33143184  -0.79912169
 C   -0.85913521   1.70241464  -0.58715977
 C    0.84181214   1.74110334   1.19817446
 Si   0.18195630  -1.29629178  -0.40277522
 C   -1.37079167  -0.65870566   0.49988907
 C   -1.92596409   0.66683293  -0.07881497
 C    1.14472528  -2.53147311   0.67617790
 H   -0.20783080  -1.98511984  -1.68976630
 H   -2.16118870  -1.42890563   0.49870031
 H   -1.08640255  -0.52109595   1.55877219
 H   -2.59665483   0.43394096  -0.92403899
 H   -2.56037637   1.14793316   0.68564062
 H   -0.87620056   1.70878067  -1.69285927
 H   -1.16839439   2.71321176  -0.26669567
 H    1.18542214   0.46994841  -1.89725411
 H    2.20116139   0.26829593  -0.46256758
 H    1.43941793  -2.06798499   1.63248422
 H    0.53347856  -3.42213743   0.89935825
 H    2.06012958  -2.86989940   0.16260751
 H    1.93609890   1.81010209   1.32805033
 H    0.47427088   0.95938763   1.90184056
 H    0.40588813   2.70244077   1.52014630
 23
 Energy -581.4399380326  Point 175  Step 9.435
 N    0.54023767   1.53270092  -0.20832141
 C    1.15683084   0.33012255  -0.79273912
 C   -0.85674155   1.69658622  -0.59630899
 C    0.83450873   1.74712222   1.19708405
 Si   0.18276932  -1.29623058  -0.40375002
 C   -1.37169022  -0.66027375   0.49736743
 C   -1.92387531   0.67241890  -0.06863234
 C    1.14003525  -2.53508312   0.67598923
 H   -0.20299979  -1.98157315  -1.69375839
 H   -2.16333084  -1.42910385   0.48970688
 H   -1.08787412  -0.53232106   1.55769579
 H   -2.61343349   0.44976612  -0.90131774
 H   -2.53766786   1.15878347   0.70911831
 H   -0.87053141   1.68036512  -1.70187856
 H   -1.16763738   2.71359346  -0.29725673
 H    1.20301434   0.46645252  -1.89070709
 H    2.20349046   0.26624362  -0.44523309
 H    1.43084296  -2.07398406   1.63466263
 H    0.52741382  -3.42601112   0.89434443
 H    2.05755400  -2.87245794   0.16555812
 H    1.92783326   1.81814203   1.33345250
 H    0.46361449   0.96694856   1.90075550
 H    0.39522609   2.70885165   1.51335313
 23
 Energy -581.4399966168  Point 176  Step 9.434
 N    0.54177953   1.53365141  -0.21068968
 C    1.16280646   0.32880932  -0.78635313
 C   -0.85440574   1.69061247  -0.60506179
 C    0.82707836   1.75322211   1.19590021
 Si   0.18364199  -1.29611269  -0.40465630
 C   -1.37294286  -0.66202035   0.49463800
 C   -1.92147360   0.67800118  -0.05843238
 C    1.13532539  -2.53861991   0.67583696
 H   -0.19763993  -1.97773547  -1.69791461
 H   -2.16571444  -1.42949261   0.47945456
 H   -1.09030150  -0.54413716   1.55645702
 H   -2.62940546   0.46623932  -0.87841211
 H   -2.51426405   1.16934210   0.73233940
 H   -0.86531178   1.65189032  -1.71008073
 H   -1.16706575   2.71335402  -0.32750115
 H    1.22064478   0.46290566  -1.88402728
 H    2.20572270   0.26435437  -0.42797907
 H    1.42581796  -2.07862343   1.63514093
 H    0.51989455  -3.42794141   0.89270460
 H    2.05285941  -2.87824161   0.16688142
 H    1.91943349   1.82452959   1.33910686
 H    0.45126007   0.97529228   1.89954250
 H    0.38577420   2.71605003   1.50605081
 23
 Energy -581.4400670532  Point 177  Step 9.432
 N    0.54342779   1.53487007  -0.21324560
 C    1.16873036   0.32756189  -0.77982502
 C   -0.85212496   1.68465489  -0.61352428
 C    0.81955834   1.75944634   1.19447401
 Si   0.18446460  -1.29600722  -0.40557468
 C   -1.37424972  -0.66407910   0.49197526
 C   -1.91854604   0.68345015  -0.04823872
 C    1.13047515  -2.54211363   0.67561005
 H   -0.19263439  -1.97392554  -1.70192740
 H   -2.16855726  -1.42968467   0.46866230
 H   -1.09334950  -0.55694227   1.55548235
 H   -2.64432823   0.48265076  -0.85525904
 H   -2.49029984   1.17969670   0.75485496
 H   -0.86053442   1.62420672  -1.71753492
 H   -1.16664959   2.71244430  -0.35680057
 H    1.23866393   0.45910557  -1.87710692
 H    2.20762745   0.26230049  -0.41020821
 H    1.42026707  -2.08331801   1.63568120
 H    0.51206834  -3.42982101   0.89081460
 H    2.04795001  -2.88396525   0.16815300
 H    1.91093097   1.83010513   1.34489689
 H    0.43797248   0.98416515   1.89798765
 H    0.37707638   2.72381467   1.49818481
 23
 Energy -581.4401301832  Point 178  Step 9.430
 N    0.54493576   1.53594777  -0.21580271
 C    1.17455590   0.32626459  -0.77326122
 C   -0.84993635   1.67858959  -0.62192496
 C    0.81213150   1.76576225   1.19284941
 Si   0.18523466  -1.29587319  -0.40634865
 C   -1.37560974  -0.66587246   0.48916408
 C   -1.91545937   0.68900435  -0.03805928
 C    1.12571831  -2.54584606   0.67532497
 H   -0.18741580  -1.97012542  -1.70584939
 H   -2.17126885  -1.42974586   0.45751873
 H   -1.09672544  -0.56935596   1.55423657
 H   -2.65893233   0.49950629  -0.83159155
 H   -2.46558235   1.18987099   0.77712831
 H   -0.85603023   1.59670979  -1.72456061
 H   -1.16620104   2.71093169  -0.38570558
 H    1.25633405   0.45537064  -1.86999105
 H    2.20942772   0.26051791  -0.39267803
 H    1.41398716  -2.08892696   1.63679476
 H    0.50533624  -3.43279948   0.88774526
 H    2.04401013  -2.88868976   0.16993754
 H    1.90242285   1.83722866   1.35005527
 H    0.42595697   0.99265501   1.89634214
 H    0.36758154   2.73110839   1.49044222
 23
 Energy -581.4402041324  Point 179  Step 9.427
 N    0.54638971   1.53705708  -0.21848434
 C    1.18031649   0.32508868  -0.76664188
 C   -0.84787668   1.67242335  -0.63015328
 C    0.80473334   1.77226544   1.19100966
 Si   0.18613342  -1.29565332  -0.40697021
 C   -1.37703935  -0.66760867   0.48654073
 C   -1.91206390   0.69447223  -0.02809253
 C    1.12081927  -2.54996890   0.67487788
 H   -0.18239864  -1.96599193  -1.70959819
 H   -2.17403849  -1.42961845   0.44632310
 H   -1.10059770  -0.58156921   1.55319657
 H   -2.67295334   0.51652289  -0.80768115
 H   -2.44023058   1.19995769   0.79865533
 H   -0.85202849   1.56939545  -1.73099166
 H   -1.16589218   2.70881761  -0.41409825
 H    1.27383865   0.45153432  -1.86272525
 H    2.21103406   0.25881911  -0.37511145
 H    1.40653865  -2.09557920   1.63833822
 H    0.49818357  -3.43628765   0.88336548
 H    2.04020129  -2.89323609   0.17179283
 H    1.89385902   1.84582949   1.35481386
 H    0.41503993   1.00079181   1.89444069
 H    0.35701951   2.73798654   1.48260658
 23
 Energy -581.4402738352  Point 180  Step 9.424
 N    0.54787464   1.53838418  -0.22133299
 C    1.18613751   0.32398964  -0.75992394
 C   -0.84591220   1.66613554  -0.63817593
 C    0.79740872   1.77888921   1.18894717
 Si   0.18705014  -1.29529111  -0.40739360
 C   -1.37855965  -0.66946780   0.48401165
 C   -1.90848265   0.69974247  -0.01814782
 C    1.11572665  -2.55422927   0.67420299
 H   -0.17754203  -1.96139257  -1.71327323
 H   -2.17676462  -1.42961094   0.43433493
 H   -1.10515330  -0.59455914   1.55231826
 H   -2.68563394   0.53301051  -0.78404878
 H   -2.41509078   1.20958093   0.81931485
 H   -0.84834284   1.54219203  -1.73688662
 H   -1.16578760   2.70612603  -0.44219502
 H    1.29175201   0.44752176  -1.85522111
 H    2.21251793   0.25749128  -0.35730439
 H    1.39949065  -2.10256643   1.63950606
 H    0.49057330  -3.43968099   0.87877781
 H    2.03587452  -2.89835578   0.17311294
 H    1.88537803   1.85350515   1.35936000
 H    0.40342045   1.00942088   1.89228285
 H    0.34733860   2.74536816   1.47443190
 23
 Energy -581.4403485387  Point 181  Step 9.419
 N    0.54934992   1.53974402  -0.22429977
 C    1.19198251   0.32290351  -0.75294835
 C   -0.84399913   1.65970734  -0.64602757
 C    0.79015094   1.78581691   1.18664882
 Si   0.18786900  -1.29485761  -0.40768565
 C   -1.38020193  -0.67132582   0.48164931
 C   -1.90461372   0.70481679  -0.00848411
 C    1.11067211  -2.55872654   0.67326871
 H   -0.17288285  -1.95648150  -1.71683824
 H   -2.17979897  -1.42925104   0.42236831
 H   -1.11031892  -0.60724982   1.55156242
 H   -2.69769205   0.54945794  -0.76030536
 H   -2.38945454   1.21899151   0.83911420
 H   -0.84492467   1.51545299  -1.74224144
 H   -1.16594163   2.70269383  -0.46956511
 H    1.30991947   0.44330821  -1.84733602
 H    2.21379384   0.25625390  -0.33900779
 H    1.39249941  -2.11000536   1.64053427
 H    0.48290800  -3.44325578   0.87387919
 H    2.03157202  -2.90369010   0.17415467
 H    1.87693021   1.86186000   1.36352740
 H    0.39218819   1.01830361   1.88996157
 H    0.33765076   2.75294126   1.46602272
 23
 Energy -581.4404052966  Point 182  Step 9.409
 N    0.55096835   1.54122285  -0.22758344
 C    1.19781697   0.32162004  -0.74543450
 C   -0.84196971   1.65366877  -0.65366966
 C    0.78285327   1.79344000   1.18389465
 Si   0.18845762  -1.29460587  -0.40769503
 C   -1.38206163  -0.67334264   0.47921262
 C   -1.90031472   0.70963373   0.00091972
 C    1.10575915  -2.56358866   0.67190054
 H   -0.16844432  -1.95120845  -1.72038904
 H   -2.18315583  -1.42879327   0.41004441
 H   -1.11599466  -0.62023632   1.55072083
 H   -2.70869925   0.56589350  -0.73679747
 H   -2.36340153   1.22791335   0.85809100
 H   -0.84257521   1.49182639  -1.74734798
 H   -1.16656253   2.69847031  -0.49186241
 H    1.32892863   0.43846428  -1.83870644
 H    2.21459344   0.25464638  -0.31943303
 H    1.38553517  -2.11838970   1.64138724
 H    0.47565654  -3.44751288   0.86784742
 H    2.02745232  -2.90877925   0.17443117
 H    1.86834397   1.87153297   1.36726501
 H    0.38124543   1.02788646   1.88737829
 H    0.32736411   2.76103439   1.45672338
 23
 Energy -581.4404871507  Point 183  Step 9.401
 N    0.55248252   1.54261088  -0.23062903
 C    1.20334507   0.32036744  -0.73796181
 C   -0.84017018   1.64725999  -0.66086799
 C    0.77603928   1.80132846   1.18108185
 Si   0.18904256  -1.29430561  -0.40753507
 C   -1.38399799  -0.67510765   0.47704096
 C   -1.89622556   0.71448188   0.00997243
 C    1.10105528  -2.56856305   0.67031024
 H   -0.16433131  -1.94599375  -1.72357446
 H   -2.18642940  -1.42807306   0.39772164
 H   -1.12224241  -0.63274188   1.55011807
 H   -2.71870208   0.58176962  -0.71411478
 H   -2.33853139   1.23642051   0.87583209
 H   -0.83944270   1.46578607  -1.75154200
 H   -1.16590875   2.69483730  -0.52026888
 H    1.34698616   0.43366687  -1.83001825
 H    2.21519148   0.25310944  -0.30049571
 H    1.37925104  -2.12706118   1.64195163
 H    0.46892455  -3.45201113   0.86185352
 H    2.02337774  -2.91381150   0.17404608
 H    1.86025908   1.88162603   1.37052166
 H    0.37109661   1.03795094   1.88514396
 H    0.31772550   2.76944961   1.44724618
 23
 Energy -581.4405494381  Point 184  Step 9.394
 N    0.55374831   1.54373945  -0.23350071
 C    1.20891702   0.31931109  -0.73063087
 C   -0.83843136   1.64026881  -0.66852213
 C    0.76940852   1.80915385   1.17827206
 Si   0.18974424  -1.29366704  -0.40714320
 C   -1.38587298  -0.67651417   0.47526302
 C   -1.89218343   0.71925857   0.01882560
 C    1.09622042  -2.57370414   0.66847977
 H   -0.16067143  -1.94024538  -1.72647877
 H   -2.18934284  -1.42713053   0.38557113
 H   -1.12888418  -0.64457839   1.54983640
 H   -2.72829162   0.59715926  -0.69140699
 H   -2.31354481   1.24519398   0.89260923
 H   -0.83601196   1.43794159  -1.75552691
 H   -1.16594568   2.68993753  -0.54806351
 H    1.36470279   0.42927362  -1.82135935
 H    2.21588344   0.25209265  -0.28213988
 H    1.37251596  -2.13637963   1.64253910
 H    0.46181166  -3.45662283   0.85488935
 H    2.01924844  -2.91889671   0.17348565
 H    1.85238835   1.89232934   1.37317801
 H    0.36205829   1.04764944   1.88310629
 H    0.30785208   2.77747320   1.43800381
 23
 Energy -581.4406070886  Point 185  Step 9.381
 N    0.55502414   1.54502734  -0.23680201
 C    1.21472198   0.31821117  -0.72271718
 C   -0.83686432   1.63370793  -0.67564016
 C    0.76272807   1.81765688   1.17490750
 Si   0.19049327  -1.29301432  -0.40665226
 C   -1.38753657  -0.67807416   0.47363337
 C   -1.88783718   0.72344501   0.02734731
 C    1.09086880  -2.57955927   0.66623156
 H   -0.15723608  -1.93375461  -1.72949352
 H   -2.19199115  -1.42633066   0.37382144
 H   -1.13538120  -0.65632287   1.54962361
 H   -2.73698888   0.61194511  -0.66901232
 H   -2.28857162   1.25308160   0.90857875
 H   -0.83384337   1.41402211  -1.75927977
 H   -1.16626007   2.68462492  -0.57154823
 H    1.38408939   0.42433877  -1.81180374
 H    2.21607823   0.25104805  -0.26190712
 H    1.36443477  -2.14718251   1.64329489
 H    0.45406130  -3.46204422   0.84640129
 H    2.01505998  -2.92447171   0.17324201
 H    1.84439449   1.90442776   1.37506478
 H    0.35340949   1.05814800   1.88086987
 H    0.29747593   2.78602028   1.42786266
 23
 Energy -581.4406558934  Point 186  Step 9.364
 N    0.55631242   1.54644354  -0.24004713
 C    1.22038409   0.31702022  -0.71417971
 C   -0.83530966   1.62714979  -0.68245904
 C    0.75644812   1.82726856   1.17121959
 Si   0.19102639  -1.29253669  -0.40604443
 C   -1.38903533  -0.67959165   0.47244733
 C   -1.88350852   0.72724296   0.03528894
 C    1.08548625  -2.58593519   0.66349710
 H   -0.15394201  -1.92690852  -1.73264833
 H   -2.19458693  -1.42533203   0.36341296
 H   -1.14108566  -0.66715257   1.54958009
 H   -2.74436255   0.62527959  -0.64804859
 H   -2.26512467   1.26030726   0.92289503
 H   -0.83150616   1.39024449  -1.76249467
 H   -1.16658326   2.67916721  -0.59531867
 H    1.40324693   0.41916245  -1.80149039
 H    2.21595848   0.25008403  -0.24109970
 H    1.35673592  -2.15896269   1.64357034
 H    0.44622537  -3.46796054   0.83717308
 H    2.01053819  -2.93046803   0.17186302
 H    1.83682025   1.91792810   1.37625625
 H    0.34547126   1.07010172   1.87883393
 H    0.28742339   2.79567790   1.41693899
 23
 Energy -581.4407052072  Point 187  Step 9.345
 N    0.55752559   1.54769945  -0.24316973
 C    1.22594390   0.31573743  -0.70522950
 C   -0.83372669   1.62046655  -0.68926882
 C    0.75057578   1.83781594   1.16728282
 Si   0.19135170  -1.29203075  -0.40499561
 C   -1.39046523  -0.68079052   0.47192642
 C   -1.87933027   0.73061856   0.04232188
 C    1.08030082  -2.59295851   0.65993991
 H   -0.15165674  -1.91940953  -1.73541240
 H   -2.19681803  -1.42428389   0.35403174
 H   -1.14710468  -0.67668656   1.55016991
 H   -2.75067858   0.63720623  -0.62884064
 H   -2.24306075   1.26727098   0.93523735
 H   -0.82878551   1.36734800  -1.76564642
 H   -1.16688940   2.67316793  -0.61791218
 H    1.42269164   0.41375477  -1.79049701
 H    2.21543187   0.24884014  -0.21960495
 H    1.34959286  -2.17199254   1.64314691
 H    0.43875781  -3.47462805   0.82693784
 H    2.00601110  -2.93664023   0.16893730
 H    1.82966561   1.93335279   1.37666260
 H    0.33886675   1.08327579   1.87737026
 H    0.27718339   2.80603506   1.40520639
 23
 Energy -581.4407374136  Point 188  Step 9.320
 N    0.55858221   1.54891987  -0.24615372
 C    1.23145768   0.31443495  -0.69572832
 C   -0.83221024   1.61398126  -0.69573120
 C    0.74521165   1.84936521   1.16302594
 Si   0.19161783  -1.29149096  -0.40365221
 C   -1.39139331  -0.68166193   0.47240138
 C   -1.87555323   0.73321823   0.04811197
 C    1.07491352  -2.60090961   0.65546858
 H   -0.15038616  -1.91095788  -1.73801406
 H   -2.19846215  -1.42327359   0.34789759
 H   -1.15159010  -0.68382453   1.55143567
 H   -2.75555122   0.64655612  -0.61257873
 H   -2.22425182   1.27348197   0.94481429
 H   -0.82607496   1.34575681  -1.76849346
 H   -1.16729906   2.66706546  -0.63937675
 H    1.44266335   0.40808140  -1.77869903
 H    2.21437466   0.24800205  -0.19700525
 H    1.34211374  -2.18692200   1.64220490
 H    0.43093000  -3.48221650   0.81471118
 H    2.00133883  -2.94343000   0.16502760
 H    1.82306579   1.95038054   1.37602751
 H    0.33335367   1.09788404   1.87637338
 H    0.26727776   2.81735671   1.39263634
 23
 Energy -581.4407920405  Point 189  Step 9.290
 N    0.55940263   1.55005511  -0.24870961
 C    1.23671052   0.31321897  -0.68579994
 C   -0.83081394   1.60804287  -0.70174009
 C    0.74034396   1.86201787   1.15870305
 Si   0.19182166  -1.29089291  -0.40190148
 C   -1.39098469  -0.68175598   0.47477989
 C   -1.87252329   0.73447287   0.05161678
 C    1.06921020  -2.61026424   0.64961316
 H   -0.15093164  -1.90111534  -1.74033956
 H   -2.19847634  -1.42248740   0.34791816
 H   -1.15247084  -0.68593631   1.55413037
 H   -2.75772185   0.65066071  -0.60248926
 H   -2.21181394   1.27854357   0.94960376
 H   -0.82311068   1.32729216  -1.77131584
 H   -1.16780255   2.66114798  -0.65787612
 H    1.46175460   0.40254358  -1.76635156
 H    2.21318088   0.24741247  -0.17456928
 H    1.33611997  -2.20441520   1.63979726
 H    0.42176246  -3.49038430   0.80130054
 H    1.99522991  -2.95261216   0.15831001
 H    1.81722191   1.96606700   1.37495954
 H    0.32675652   1.11559580   1.87645290
 H    0.26048280   2.83131104   1.37863966
 23
 Energy -581.4407903188  Point 190  Step 9.258
 N    0.56012060   1.55096653  -0.25077329
 C    1.24161734   0.31184437  -0.67546015
 C   -0.82917249   1.60242544  -0.70767409
 C    0.73573337   1.87506881   1.15457447
 Si   0.19162080  -1.29045196  -0.39992353
 C   -1.38969386  -0.68083630   0.47882112
 C   -1.87017892   0.73500642   0.05297426
 C    1.06399774  -2.62010235   0.64267419
 H   -0.15346451  -1.89126278  -1.74201956
 H   -2.19752544  -1.42146668   0.35343641
 H   -1.15029222  -0.68355287   1.55796050
 H   -2.75832541   0.65120615  -0.59712580
 H   -2.20419099   1.28348017   0.95027825
 H   -0.81906193   1.31092089  -1.77438969
 H   -1.16786812   2.65542381  -0.67504401
 H    1.48133287   0.39704393  -1.75326420
 H    2.21111007   0.24627512  -0.15118030
 H    1.33255369  -2.22243138   1.63571250
 H    0.41291576  -3.49860726   0.78803901
 H    1.98854032  -2.96274132   0.14882235
 H    1.81162285   1.98317910   1.37368008
 H    0.32100949   1.13376386   1.87697349
 H    0.25314947   2.84515736   1.36490566
 23
 Energy -581.4408946278  Point 191  Step 10.230
 N    0.56236532   1.54656639  -0.29702468
 C    1.25727345   0.28436365  -0.62836226
 C   -0.83067780   1.55439365  -0.74477096
 C    0.74650503   1.99247309   1.07320244
 Si   0.16526423  -1.29211180  -0.37159444
 C   -1.34937755  -0.64641164   0.58795295
 C   -1.85491946   0.73554779   0.08889025
 C    1.03560745  -2.69775962   0.56641144
 H   -0.26270385  -1.81937085  -1.72081176
 H   -1.02943820  -0.57098309   1.64350265
 H   -2.16326767  -1.39079020   0.57425917
 H   -2.17775580   1.33707285   0.95599512
 H   -2.75269549   0.60229469  -0.53961868
 H   -1.17788725   2.60420745  -0.78819503
 H   -0.82916463   1.18404050  -1.78692497
 H    2.17944392   0.22101914  -0.02480643
 H    1.58673038   0.32525140  -1.68539515
 H    0.36301116  -3.56311161   0.69089058
 H    1.35486570  -2.36285079   1.56745819
 H    1.92885041  -3.04082445   0.01822685
 H    1.82270996   2.13101194   1.27258090
 H    0.25571681   2.97277457   1.20233488
 H    0.34537680   1.31356862   1.86146069
 23
 Energy -581.4408943472  Point 192  Step 10.251
 N    0.56175044   1.54662203  -0.29598267
 C    1.25349708   0.28591183  -0.63845722
 C   -0.83238208   1.55898138  -0.74031950
 C    0.74967776   1.98124782   1.07736657
 Si   0.16593611  -1.29250548  -0.37360405
 C   -1.35124896  -0.64816602   0.58338016
 C   -1.85606528   0.73621426   0.09027446
 C    1.03972813  -2.69004410   0.57341536
 H   -0.25937052  -1.82876958  -1.72006953
 H   -1.03364821  -0.57718457   1.63993509
 H   -2.16515294  -1.39242064   0.56477679
 H   -2.17810235   1.33392835   0.96029183
 H   -2.75437442   0.60630554  -0.53815321
 H   -1.17836881   2.60949207  -0.77617130
 H   -0.83352372   1.19529825  -1.78480933
 H    2.18341414   0.22257466  -0.04690915
 H    1.56907451   0.33004293  -1.69952035
 H    0.36956341  -3.55646329   0.70341959
 H    1.35796705  -2.34769077   1.57227460
 H    1.93403290  -3.03409598   0.02756942
 H    1.82655329   2.11618788   1.27554088
 H    0.26081627   2.96127085   1.21541090
 H    0.34908739   1.29670093   1.86105113
 23
 Energy -581.4408867747  Point 193  Step 10.271
 N    0.56107859   1.54686358  -0.29530562
 C    1.24973793   0.28774054  -0.64883321
 C   -0.83441814   1.56354245  -0.73534544
 C    0.75329552   1.96976639   1.08113896
 Si   0.16710377  -1.29277208  -0.37580101
 C   -1.35429260  -0.65118263   0.57710302
 C   -1.85681418   0.73743640   0.09337025
 C    1.04369430  -2.68185973   0.58124426
 H   -0.25433354  -1.83827627  -1.71977554
 H   -1.04292096  -0.58958183   1.63607099
 H   -2.16827402  -1.39505755   0.54805983
 H   -2.17453748   1.33069066   0.96799198
 H   -2.75762210   0.61376437  -0.53270118
 H   -1.17922844   2.61467306  -0.76375964
 H   -0.83900723   1.20614696  -1.78198873
 H    2.18720977   0.22467002  -0.06928955
 H    1.55159415   0.33516518  -1.71366977
 H    0.37529158  -3.54878450   0.71701173
 H    1.36043058  -2.33166115   1.57786694
 H    1.93910390  -3.02776803   0.03841364
 H    1.83086923   2.10211994   1.27722583
 H    0.26554487   2.94891380   1.22894603
 H    0.35452559   1.27876386   1.86007983
 23
 Energy -581.4408825597  Point 194  Step 10.293
 N    0.56036616   1.54688814  -0.29418261
 C    1.24538340   0.28951423  -0.65971934
 C   -0.83638766   1.56854327  -0.72999343
 C    0.75730487   1.95775300   1.08525043
 Si   0.16800113  -1.29323884  -0.37808854
 C   -1.35697535  -0.65375270   0.57119580
 C   -1.85795995   0.73825501   0.09553589
 C    1.04824049  -2.67303471   0.58915182
 H   -0.24959530  -1.84885157  -1.71910822
 H   -1.05018177  -0.59933415   1.63186566
 H   -2.17102536  -1.39722476   0.53418372
 H   -2.17345078   1.32687799   0.97406004
 H   -2.76008453   0.61952801  -0.52955872
 H   -1.17979608   2.62033620  -0.74986577
 H   -0.84423409   1.21866010  -1.77913906
 H    2.19085427   0.22634605  -0.09329552
 H    1.53244633   0.34049674  -1.72843797
 H    0.38235436  -3.54098765   0.73070028
 H    1.36310413  -2.31474389   1.58349338
 H    1.94515080  -3.02009508   0.04953428
 H    1.83570726   2.08654572   1.27920227
 H    0.27157698   2.93634151   1.24291497
 H    0.35974618   1.26068556   1.85937737
 23
 Energy -581.4408769786  Point 195  Step 10.314
 N    0.55976311   1.54687514  -0.29324209
 C    1.24128382   0.29114949  -0.67003492
 C   -0.83826285   1.57324706  -0.72481628
 C    0.76109480   1.94577967   1.08912247
 Si   0.16880669  -1.29363791  -0.38047989
 C   -1.35982469  -0.65647238   0.56519328
 C   -1.85891803   0.73923602   0.09804666
 C    1.05272081  -2.66398659   0.59699013
 H   -0.24493938  -1.85897318  -1.71862747
 H   -1.05777084  -0.60967689   1.62757538
 H   -2.17401137  -1.39934767   0.51967042
 H   -2.17148331   1.32328295   0.98063574
 H   -2.76272810   0.62591539  -0.52560872
 H   -1.18024722   2.62563221  -0.73668074
 H   -0.84940615   1.23032496  -1.77621499
 H    2.19391975   0.22791946  -0.11571873
 H    1.51449844   0.34557364  -1.74214291
 H    0.38894764  -3.53222679   0.74649085
 H    1.36765816  -2.29654088   1.58798186
 H    1.94995794  -3.01345248   0.05949471
 H    1.84023107   2.07149193   1.28101514
 H    0.27697571   2.92352353   1.25660187
 H    0.36492018   1.24247364   1.85831411
 23
 Energy -581.4408633043  Point 196  Step 10.336
 N    0.55918910   1.54683694  -0.29239579
 C    1.23701801   0.29274563  -0.68023909
 C   -0.84013875   1.57795268  -0.71954970
 C    0.76497374   1.93378347   1.09274768
 Si   0.16969776  -1.29404777  -0.38264385
 C   -1.36326790  -0.65936644   0.55858944
 C   -1.85979590   0.74049234   0.10093944
 C    1.05751792  -2.65483015   0.60474174
 H   -0.23946331  -1.86950692  -1.71785524
 H   -1.06683181  -0.62126938   1.62288113
 H   -2.17764195  -1.40132955   0.50327762
 H   -2.16824125   1.31976695   0.98809001
 H   -2.76587427   0.63355306  -0.52051926
 H   -1.18059290   2.63090015  -0.72347856
 H   -0.85482818   1.24187520  -1.77309503
 H    2.19663199   0.22935059  -0.13806176
 H    1.49666927   0.35044964  -1.75548375
 H    0.39706730  -3.52482211   0.75875607
 H    1.36950584  -2.27986565   1.59386302
 H    1.95696404  -3.00402879   0.07075172
 H    1.84486805   2.05619417   1.28260495
 H    0.28266402   2.91060467   1.27019346
 H    0.37006459   1.22426094   1.85688933
 23
 Energy -581.4408466606  Point 197  Step 10.357
 N    0.55873306   1.54667698  -0.29149572
 C    1.23293408   0.29413350  -0.68986788
 C   -0.84178929   1.58222756  -0.71435763
 C    0.76882172   1.92249675   1.09611334
 Si   0.17030081  -1.29463458  -0.38511980
 C   -1.36688116  -0.66255366   0.55176064
 C   -1.86033920   0.74180455   0.10422354
 C    1.06224393  -2.64525490   0.61261198
 H   -0.23426919  -1.87954488  -1.71760362
 H   -1.07642642  -0.63392681   1.61799275
 H   -2.18162766  -1.40327657   0.48593321
 H   -2.16369688   1.31635931   0.99614373
 H   -2.76916979   0.64181395  -0.51431931
 H   -1.18085463   2.63564566  -0.71096436
 H   -0.85985920   1.25247263  -1.76982963
 H    2.19890245   0.23046951  -0.15906808
 H    1.47983548   0.35518989  -1.76786645
 H    0.40374809  -3.51493745   0.77639900
 H    1.37561485  -2.26024800   1.59743301
 H    1.96126013  -2.99776497   0.08009916
 H    1.84939913   2.04214756   1.28384801
 H    0.28803280   2.89834457   1.28271506
 H    0.37530016   1.20722129   1.85560300
 23
 Energy -581.4408354172  Point 198  Step 10.376
 N    0.55823050   1.54665540  -0.29085579
 C    1.22912844   0.29572202  -0.69912418
 C   -0.84369610   1.58619594  -0.70904457
 C    0.77270723   1.91164113   1.09898033
 Si   0.17139414  -1.29495013  -0.38764354
 C   -1.37058753  -0.66616719   0.54452696
 C   -1.86077254   0.74302433   0.10823011
 C    1.06595346  -2.63619917   0.62054637
 H   -0.22775431  -1.88902030  -1.71769503
 H   -1.08673848  -0.64796890   1.61273715
 H   -2.18553717  -1.40551827   0.46700806
 H   -2.15787260   1.31254868   1.00543558
 H   -2.77294060   0.65082063  -0.50656661
 H   -1.18132171   2.64004329  -0.69869267
 H   -0.86547755   1.26221700  -1.76623842
 H    2.20113551   0.23215580  -0.17940438
 H    1.46366866   0.35980413  -1.77964711
 H    0.41082039  -3.50748439   0.78910348
 H    1.37568691  -2.24215615   1.60299844
 H    1.96779832  -2.98832937   0.09255914
 H    1.85399926   2.02823714   1.28451914
 H    0.29376162   2.88659699   1.29461936
 H    0.38037612   1.19086716   1.85394087
 23
 Energy -581.4408117345  Point 199  Step 10.395
 N    0.55769308   1.54685320  -0.29039836
 C    1.22525977   0.29766349  -0.70867397
 C   -0.84568282   1.59015932  -0.70359463
 C    0.77656579   1.90088240   1.10159770
 Si   0.17298257  -1.29505809  -0.38969113
 C   -1.37483155  -0.67018631   0.53647417
 C   -1.86095519   0.74448871   0.11294566
 C    1.06940033  -2.62763409   0.62838369
 H   -0.21998074  -1.89873285  -1.71723975
 H   -1.09925185  -0.66414286   1.60697405
 H   -2.18968609  -1.40805617   0.44488799
 H   -2.15031177   1.30860342   1.01603131
 H   -2.77713416   0.66124364  -0.49710507
 H   -1.18198465   2.64435898  -0.68641584
 H   -0.87151475   1.27171760  -1.76238172
 H    2.20362727   0.23457323  -0.20092308
 H    1.44631075   0.36448921  -1.79181194
 H    0.41761707  -3.50164938   0.79597849
 H    1.37138500  -2.22981774   1.61169826
 H    1.97583690  -2.97722689   0.10662664
 H    1.85856238   2.01406936   1.28499837
 H    0.29976139   2.87505800   1.30616067
 H    0.38504520   1.17480491   1.85193821
 23
 Energy -581.4407937855  Point 200  Step 10.413
 N    0.55720511   1.54702953  -0.29000198
 C    1.22143876   0.29947194  -0.71771605
 C   -0.84764304   1.59379099  -0.69813473
 C    0.78054617   1.89059664   1.10394351
 Si   0.17441176  -1.29535941  -0.39210582
 C   -1.37929374  -0.67453158   0.52806762
 C   -1.86080300   0.74598745   0.11823029
 C    1.07277364  -2.61862893   0.63645322
 H   -0.21232230  -1.90823749  -1.71727741
 H   -1.11277369  -0.68175724   1.60080561
 H   -2.19454451  -1.40991819   0.42137879
 H   -2.14110319   1.30451465   1.02760798
 H   -2.78165809   0.67245328  -0.48598457
 H   -1.18272417   2.64828833  -0.67461672
 H   -0.87759297   1.28038178  -1.75827902
 H    2.20549241   0.23670611  -0.22097755
 H    1.43029547   0.36905439  -1.80304990
 H    0.42284563  -3.49310836   0.80887948
 H    1.37183999  -2.21310468   1.61752625
 H    1.98106100  -2.96951355   0.11880702
 H    1.86322869   2.00101399   1.28494869
 H    0.30543963   2.86368257   1.31733652
 H    0.39037684   1.15913665   1.84986308
 23
 Energy -581.4407702657  Point 201  Step 10.431
 N    0.55691703   1.54697326  -0.28967052
 C    1.21782626   0.30087020  -0.72623463
 C   -0.84933496   1.59718329  -0.69280045
 C    0.78433051   1.88073061   1.10601165
 Si   0.17554922  -1.29567355  -0.39438325
 C   -1.38434031  -0.67898241   0.51929326
 C   -1.86042492   0.74769785   0.12379480
 C    1.07650963  -2.60933066   0.64431872
 H   -0.20428061  -1.91770164  -1.71722209
 H   -1.12758124  -0.70024791   1.59418886
 H   -2.19986426  -1.41148721   0.39635497
 H   -2.13082689   1.30054434   1.03954680
 H   -2.78621707   0.68448528  -0.47396035
 H   -1.18301583   2.65199904  -0.66328433
 H   -0.88348100   1.28846046  -1.75419419
 H    2.20696988   0.23819053  -0.23967540
 H    1.41540800   0.37314317  -1.81344480
 H    0.42960860  -3.48527982   0.82064582
 H    1.37159209  -2.19651949   1.62356236
 H    1.98742479  -2.95980473   0.13102780
 H    1.86760611   1.98867162   1.28487521
 H    0.31072876   2.85272006   1.32752531
 H    0.39532347   1.14428985   1.84769749
 23
 Energy -581.4407499381  Point 202  Step 10.447
 N    0.55661161   1.54720995  -0.28965255
 C    1.21443008   0.30240506  -0.73409572
 C   -0.85115996   1.60008892  -0.68770252
 C    0.78821030   1.87154388   1.10762211
 Si   0.17680027  -1.29593186  -0.39646786
 C   -1.38981204  -0.68377599   0.50997882
 C   -1.85970462   0.74950522   0.13012622
 C    1.07993235  -2.60046732   0.65194171
 H   -0.19593908  -1.92656652  -1.71725731
 H   -1.14403415  -0.72036180   1.58698992
 H   -2.20551078  -1.41284252   0.36912028
 H   -2.11814285   1.29642314   1.05283742
 H   -2.79136085   0.69784606  -0.45958405
 H   -1.18376466   2.65512576  -0.65319245
 H   -0.88958505   1.29502533  -1.74998891
 H    2.20820120   0.23995969  -0.25696619
 H    1.40159542   0.37683051  -1.82295807
 H    0.43596414  -3.47790096   0.83172082
 H    1.37082525  -2.18088625   1.62957670
 H    1.99353143  -2.95039346   0.14305787
 H    1.87209869   1.97720904   1.28407877
 H    0.31603197   2.84231014   1.33726991
 H    0.40068601   1.13011798   1.84522055
 23
 Energy -581.4407472192  Point 203  Step 10.458
 N    0.55624403   1.54759641  -0.28996298
 C    1.21154915   0.30385297  -0.74096177
 C   -0.85303546   1.60226860  -0.68281283
 C    0.79208780   1.86419270   1.10847416
 Si   0.17822902  -1.29617979  -0.39843541
 C   -1.39582935  -0.68910139   0.49988806
 C   -1.85838644   0.75142009   0.13764428
 C    1.08253552  -2.59242472   0.65933723
 H   -0.18618147  -1.93475141  -1.71766081
 H   -1.16257977  -0.74324486   1.57889468
 H   -2.21168212  -1.41374508   0.33870566
 H   -2.10238200   1.29211412   1.06783977
 H   -2.79688642   0.71261765  -0.44205627
 H   -1.18461826   2.65752863  -0.64458888
 H   -0.89593982   1.29944944  -1.74558902
 H    2.20914380   0.24173046  -0.27180601
 H    1.38996767   0.37998885  -1.83114270
 H    0.44117833  -3.47140703   0.84091906
 H    1.36831819  -2.16718199   1.63603973
 H    1.99926040  -2.94127561   0.15536572
 H    1.87655566   1.96770057   1.28240936
 H    0.32149800   2.83413932   1.34475649
 H    0.40569071   1.11894544   1.84290426
 23
 Energy -581.4407024211  Point 204  Step 10.468
 N    0.55619646   1.54775881  -0.29039502
 C    1.20887499   0.30495736  -0.74720845
 C   -0.85465248   1.60426059  -0.67804578
 C    0.79542556   1.85800666   1.10884639
 Si   0.17956317  -1.29652422  -0.40021515
 C   -1.40223360  -0.69457846   0.48927313
 C   -1.85648694   0.75349097   0.14573598
 C    1.08504215  -2.58469714   0.66647788
 H   -0.17664700  -1.94289507  -1.71789814
 H   -1.18325388  -0.76762882   1.57010419
 H   -2.21813025  -1.41380442   0.30566871
 H   -2.08422047   1.28758879   1.08378640
 H   -2.80248524   0.72866408  -0.42244963
 H   -1.18522430   2.65974441  -0.63620771
 H   -0.90233591   1.30342510  -1.74116582
 H    2.21003648   0.24311495  -0.28563593
 H    1.37901348   0.38253694  -1.83857944
 H    0.44622411  -3.46530307   0.84916428
 H    1.36552219  -2.15437007   1.64248673
 H    2.00492793  -2.93210088   0.16726748
 H    1.88035745   1.95998338   1.28076062
 H    0.32588007   2.82701286   1.35085383
 H    0.41033544   1.10930342   1.84060462
 23
 Energy -581.4406791193  Point 205  Step 10.477
 N    0.55584949   1.54801441  -0.29069876
 C    1.20599891   0.30634652  -0.75373935
 C   -0.85655432   1.60628877  -0.67292545
 C    0.79961623   1.85180758   1.10918727
 Si   0.18102773  -1.29675397  -0.40186729
 C   -1.40858135  -0.70005755   0.47860591
 C   -1.85495549   0.75498946   0.15354683
 C    1.08739974  -2.57705618   0.67361276
 H   -0.16702596  -1.95092224  -1.71785293
 H   -1.20407749  -0.79153466   1.56079754
 H   -2.22396414  -1.41381642   0.27273975
 H   -2.06691272   1.28222462   1.09907885
 H   -2.80783027   0.74346225  -0.40341120
 H   -1.18622903   2.66192005  -0.62692221
 H   -0.90886998   1.30811540  -1.73658750
 H    2.21090287   0.24494481  -0.30027040
 H    1.36729975   0.38536611  -1.84632154
 H    0.45100987  -3.45908999   0.85792980
 H    1.36305250  -2.14160919   1.64873135
 H    2.01019760  -2.92330416   0.17901331
 H    1.88511334   1.95263702   1.27804134
 H    0.33100580   2.81971670   1.35730467
 H    0.41663683   1.09954152   1.83850874
 23
 Energy -581.4406622145  Point 206  Step 10.484
 N    0.55551896   1.54842171  -0.29124852
 C    1.20324898   0.30771516  -0.75985759
 C   -0.85848567   1.60832912  -0.66776132
 C    0.80378939   1.84615898   1.10916177
 Si   0.18257938  -1.29694675  -0.40321976
 C   -1.41511157  -0.70563432   0.46768665
 C   -1.85316733   0.75633770   0.16160112
 C    1.08957021  -2.56994109   0.68044789
 H   -0.15769676  -1.95795298  -1.71783247
 H   -1.22666366  -0.81654187   1.55088779
 H   -2.22954390  -1.41313874   0.23795938
 H   -2.04947014   1.27623282   1.11449820
 H   -2.81286490   0.75830528  -0.38369382
 H   -1.18730774   2.66407331  -0.61737779
 H   -0.91573952   1.31288874  -1.73193820
 H    2.21160469   0.24699181  -0.31398762
 H    1.35626608   0.38779631  -1.85352213
 H    0.45551808  -3.45353564   0.86542321
 H    1.36002473  -2.13014103   1.65506385
 H    2.01537695  -2.91470574   0.19043969
 H    1.88979101   1.94672620   1.27484492
 H    0.33537805   2.81253688   1.36346909
 H    0.42369190   1.09011923   1.83623498
 23
 Energy -581.4406387818  Point 207  Step 10.490
 N    0.55525642   1.54893779  -0.29193091
 C    1.20047698   0.30890017  -0.76535322
 C   -0.86036837   1.61010932  -0.66277155
 C    0.80781472   1.84119860   1.10892831
 Si   0.18386872  -1.29738439  -0.40458943
 C   -1.42172855  -0.71108691   0.45646524
 C   -1.85094758   0.75772708   0.17002740
 C    1.09182371  -2.56285326   0.68710028
 H   -0.14790873  -1.96542079  -1.71778913
 H   -1.24895081  -0.84144781   1.54004504
 H   -2.23545281  -1.41136979   0.20335963
 H   -2.03035109   1.27004392   1.13028934
 H   -2.81768110   0.77339596  -0.36244010
 H   -1.18854890   2.66589361  -0.60849683
 H   -0.92262002   1.31684253  -1.72728501
 H    2.21196945   0.24874720  -0.32658691
 H    1.34609181   0.38902797  -1.86001637
 H    0.45943183  -3.44707636   0.87482809
 H    1.35925392  -2.11799431   1.66025825
 H    2.01942387  -2.90762920   0.20049477
 H    1.89436672   1.94036653   1.27173217
 H    0.34067139   2.80674960   1.36858008
 H    0.42943572   1.08228128   1.83398979
 23
 Energy -581.4406281181  Point 208  Step 10.495
 N    0.55500889   1.54923848  -0.29254454
 C    1.19807990   0.30986046  -0.77044656
 C   -0.86213512   1.61132276  -0.65807782
 C    0.81188141   1.83751990   1.10832293
 Si   0.18507313  -1.29767994  -0.40555987
 C   -1.42878028  -0.71656855   0.44499042
 C   -1.84849084   0.75899134   0.17872982
 C    1.09391785  -2.55631379   0.69332125
 H   -0.13847152  -1.97254956  -1.71730975
 H   -1.27356118  -0.86741376   1.52850612
 H   -2.24113397  -1.40879364   0.16654169
 H   -2.00992191   1.26356898   1.14620516
 H   -2.82242022   0.78880610  -0.33988614
 H   -1.18969183   2.66719999  -0.60090186
 H   -0.92910420   1.31930093  -1.72266529
 H    2.21225714   0.24990253  -0.33783185
 H    1.33683603   0.39162789  -1.86583771
 H    0.46271441  -3.44072970   0.88422958
 H    1.35995078  -2.10697838   1.66477243
 H    2.02234060  -2.90188109   0.20881144
 H    1.89893567   1.93582580   1.26811396
 H    0.34576673   2.80237790   1.37235969
 H    0.43547252   1.07646623   1.83230501
 23
 Energy -581.4406180023  Point 209  Step 10.497
 N    0.55469397   1.54973400  -0.29339250
 C    1.19573125   0.31087301  -0.77503681
 C   -0.86398165   1.61237238  -0.65346993
 C    0.81607276   1.83454319   1.10736771
 Si   0.18631800  -1.29794130  -0.40620164
 C   -1.43591624  -0.72199466   0.43340212
 C   -1.84579961   0.76007245   0.18771280
 C    1.09580428  -2.55045208   0.69914823
 H   -0.12888126  -1.97897661  -1.71680666
 H   -1.29995244  -0.89497557   1.51605360
 H   -2.24650649  -1.40469136   0.12756890
 H   -1.98873562   1.25671589   1.16214816
 H   -2.82685162   0.80387324  -0.31632816
 H   -1.19110798   2.66826511  -0.59358298
 H   -0.93576318   1.32137454  -1.71803858
 H    2.21256135   0.25161066  -0.34855662
 H    1.32793289   0.39288699  -1.87122358
 H    0.46645246  -3.43598900   0.89100533
 H    1.35837532  -2.09777369   1.67000758
 H    2.02626032  -2.89492123   0.21773448
 H    1.90355702   1.93390882   1.26352067
 H    0.34943204   2.79789801   1.37587637
 H    0.44341576   1.07074561   1.83048252
 23
 Energy -581.4406201694  Point 210  Step 10.502
 N    0.55419384   1.55012778  -0.29393755
 C    1.19288118   0.31205504  -0.78040109
 C   -0.86606631   1.61397274  -0.64816166
 C    0.82065117   1.83048527   1.10679096
 Si   0.18760794  -1.29834330  -0.40743301
 C   -1.44227878  -0.72714944   0.42192599
 C   -1.84351581   0.76057052   0.19609210
 C    1.09758673  -2.54367153   0.70564811
 H   -0.11913572  -1.98607484  -1.71644875
 H   -1.32238086  -0.91823048   1.50336749
 H   -2.25092038  -1.40143740   0.09321232
 H   -1.96980311   1.24867372   1.17708821
 H   -2.83073351   0.81720135  -0.29450235
 H   -1.19240353   2.66989314  -0.58406620
 H   -0.94288261   1.32552448  -1.71310131
 H    2.21250518   0.25315494  -0.36051895
 H    1.31795300   0.39502538  -1.87733042
 H    0.47190035  -3.43243162   0.89466954
 H    1.35148752  -2.08840587   1.67757742
 H    2.03289533  -2.88358027   0.23045745
 H    1.90868634   1.92946733   1.25924658
 H    0.35474950   2.79274798   1.38039031
 H    0.45088686   1.06404443   1.82869377
 23
 Energy -581.4406145772  Point 211  Step 10.509
 N    0.55361235   1.55030062  -0.29411553
 C    1.18996948   0.31332464  -0.78602060
 C   -0.86807517   1.61570025  -0.64288067
 C    0.82511741   1.82644454   1.10643551
 Si   0.18891767  -1.29880227  -0.40865663
 C   -1.44795135  -0.73171493   0.41106391
 C   -1.84142759   0.76079986   0.20378269
 C    1.09914071  -2.53715490   0.71199084
 H   -0.11053555  -1.99343193  -1.71578356
 H   -1.34340948  -0.94067519   1.49078627
 H   -2.25468030  -1.39764270   0.06121907
 H   -1.95283624   1.24060182   1.19065556
 H   -2.83402026   0.82873923  -0.27441955
 H   -1.19352670   2.67161096  -0.57414562
 H   -0.94961291   1.33028075  -1.70829312
 H    2.21275544   0.25503299  -0.37377428
 H    1.30710003   0.39868977  -1.88360994
 H    0.47594821  -3.42779721   0.90043261
 H    1.34721585  -2.07864433   1.68391675
 H    2.03769705  -2.87471546   0.24152712
 H    1.91371961   1.92467768   1.25523526
 H    0.36034312   2.78790722   1.38474346
 H    0.45784023   1.05777873   1.82729431
 23
 Energy -581.4406452094  Point 212  Step 10.511
 N    0.55306619   1.55078181  -0.29488910
 C    1.18724867   0.31434383  -0.79065682
 C   -0.87016823   1.61707932  -0.63773010
 C    0.82965129   1.82374103   1.10536910
 Si   0.19022435  -1.29908076  -0.40919094
 C   -1.45420521  -0.73647429   0.39965392
 C   -1.83893297   0.76092594   0.21208154
 C    1.10064573  -2.53166006   0.71763914
 H   -0.10145386  -1.99934848  -1.71500171
 H   -1.36760084  -0.96464183   1.47697723
 H   -2.25800295  -1.39264201   0.02551864
 H   -1.93378677   1.23202704   1.20481170
 H   -2.83725658   0.84101389  -0.25214035
 H   -1.19493658   2.67296649  -0.56501911
 H   -0.95658110   1.33408894  -1.70341048
 H    2.21265578   0.25696337  -0.38475196
 H    1.29741477   0.39881777  -1.88904065
 H    0.47826187  -3.42245789   0.90817829
 H    1.34688919  -2.06971710   1.68833938
 H    2.04017751  -2.86965603   0.24944988
 H    1.91875257   1.92223777   1.25023025
 H    0.36523907   2.78414022   1.38782290
 H    0.46560424   1.05306423   1.82580339
 23
 Energy -581.4406700917  Point 213  Step 10.512
 N    0.55255281   1.55131386  -0.29571622
 C    1.18470526   0.31522664  -0.79472301
 C   -0.87221314   1.61818664  -0.63271053
 C    0.83428031   1.82179137   1.10401197
 Si   0.19130815  -1.29946144  -0.40955549
 C   -1.46074578  -0.74120888   0.38799600
 C   -1.83622927   0.76093040   0.22060112
 C    1.10223691  -2.52637129   0.72298414
 H   -0.09241103  -2.00519495  -1.71417330
 H   -1.39282940  -0.98911199   1.46226097
 H   -2.26164049  -1.38637761  -0.01086550
 H   -1.91406268   1.22320500   1.21895741
 H   -2.84016876   0.85308153  -0.22926862
 H   -1.19642142   2.67396763  -0.55626132
 H   -0.96354880   1.33729826  -1.69861118
 H    2.21227207   0.25843314  -0.39427456
 H    1.28904633   0.39970582  -1.89368650
 H    0.48194596  -3.41868820   0.91316012
 H    1.34458759  -2.06219916   1.69366165
 H    2.04395367  -2.86239500   0.25769613
 H    1.92385691   1.92093819   1.24478875
 H    0.37005669   2.78112724   1.39038522
 H    0.47394933   1.04914096   1.82416614
 23
 Energy -581.4407042641  Point 214  Step 10.513
 N    0.55197317   1.55167913  -0.29630316
 C    1.18204310   0.31613575  -0.79902763
 C   -0.87426491   1.61928283  -0.62745435
 C    0.83910969   1.82013452   1.10272174
 Si   0.19230382  -1.30003580  -0.41017228
 C   -1.46713893  -0.74576596   0.37618673
 C   -1.83344310   0.76060381   0.22908100
 C    1.10373821  -2.52081752   0.72863576
 H   -0.08392110  -2.01156392  -1.71323443
 H   -1.41752986  -1.01281167   1.44675393
 H   -2.26479450  -1.37958962  -0.04657201
 H   -1.89447097   1.21357659   1.23278542
 H   -2.84264892   0.86466132  -0.20616377
 H   -1.19783185   2.67501641  -0.54709612
 H   -0.97049784   1.34067975  -1.69348483
 H    2.21191773   0.25981550  -0.40433688
 H    1.28025173   0.40118493  -1.89847417
 H    0.48573188  -3.41477257   0.91877138
 H    1.34178872  -2.05400700   1.69899091
 H    2.04781063  -2.85478201   0.26668312
 H    1.92917879   1.91973585   1.23924264
 H    0.37534821   2.77860035   1.39260543
 H    0.48228063   1.04597801   1.82317109
 23
 Energy -581.4407454433  Point 215  Step 10.513
 N    0.55135161   1.55209665  -0.29700874
 C    1.17929821   0.31696479  -0.80319584
 C   -0.87641446   1.62047760  -0.62198330
 C    0.84403192   1.81845951   1.10128533
 Si   0.19330101  -1.30053913  -0.41072088
 C   -1.47328339  -0.75026054   0.36423105
 C   -1.83063603   0.76004117   0.23759609
 C    1.10505879  -2.51527949   0.73420518
 H   -0.07494394  -2.01762552  -1.71250581
 H   -1.44207205  -1.03653337   1.43053395
 H   -2.26731859  -1.37224939  -0.08242316
 H   -1.87501607   1.20336291   1.24653045
 H   -2.84503426   0.87537156  -0.18277210
 H   -1.19933438   2.67602984  -0.53728381
 H   -0.97775529   1.34457289  -1.68832845
 H    2.21131653   0.26118263  -0.41415265
 H    1.27154902   0.40216710  -1.90316803
 H    0.48949878  -3.41100171   0.92372947
 H    1.33817901  -2.04594236   1.70465121
 H    2.05191529  -2.84674651   0.27605797
 H    1.93458885   1.91865351   1.23342955
 H    0.38065892   2.77602172   1.39484534
 H    0.49093411   1.04279591   1.82181345
 23
 Energy -581.4407997179  Point 216  Step 10.515
 N    0.55066304   1.55241015  -0.29760819
 C    1.17656386   0.31784317  -0.80747896
 C   -0.87860766   1.62157578  -0.61643708
 C    0.84905321   1.81696134   1.09982670
 Si   0.19425818  -1.30106517  -0.41124259
 C   -1.47945199  -0.75454871   0.35212863
 C   -1.82776095   0.75922800   0.24614495
 C    1.10635561  -2.50971009   0.73983305
 H   -0.06606300  -2.02397989  -1.71143693
 H   -1.46670890  -1.05952586   1.41348288
 H   -2.26947084  -1.36410188  -0.11811654
 H   -1.85531325   1.19249148   1.25995961
 H   -2.84694804   0.88573310  -0.15906890
 H   -1.20070139   2.67704588  -0.52750217
 H   -0.98501489   1.34825345  -1.68288236
 H    2.21087508   0.26265919  -0.42432165
 H    1.26252636   0.40354147  -1.90790271
 H    0.49330971  -3.40743879   0.92835117
 H    1.33438173  -2.03837771   1.71035520
 H    2.05591332  -2.83843148   0.28536711
 H    1.94008758   1.91782355   1.22743805
 H    0.38609017   2.77358991   1.39689187
 H    0.49977586   1.03979992   1.82082208
 23
 Energy -581.4408699754  Point 217  Step 10.516
 N    0.54996126   1.55279212  -0.29825897
 C    1.17371659   0.31869838  -0.81167925
 C   -0.88080467   1.62263735  -0.61076271
 C    0.85413659   1.81558741   1.09829367
 Si   0.19521352  -1.30158942  -0.41171427
 C   -1.48548101  -0.75869921   0.33994716
 C   -1.82482533   0.75821126   0.25473298
 C    1.10755196  -2.50425007   0.74540413
 H   -0.05736206  -2.03012910  -1.71028583
 H   -1.49169851  -1.08273792   1.39576998
 H   -2.27113566  -1.35513388  -0.15410189
 H   -1.83563028   1.18139364   1.27320030
 H   -2.84866718   0.89560686  -0.13535025
 H   -1.20232003   2.67787058  -0.51734838
 H   -0.99241202   1.35217448  -1.67752024
 H    2.21015796   0.26409498  -0.43436577
 H    1.25352733   0.40452295  -1.91259901
 H    0.49675702  -3.40356391   0.93336201
 H    1.33121293  -2.03067849   1.71600334
 H    2.05957047  -2.83072214   0.29429782
 H    1.94561591   1.91728520   1.22130849
 H    0.39153412   2.77134162   1.39882898
 H    0.50886173   1.03709981   1.81955996
 23
 Energy -581.4409494248  Point 218  Step 10.517
 N    0.54922638   1.55320331  -0.29889230
 C    1.17065497   0.31953353  -0.81594042
 C   -0.88304911   1.62383843  -0.60485505
 C    0.85932279   1.81440577   1.09667823
 Si   0.19616381  -1.30222685  -0.41212133
 C   -1.49135878  -0.76262247   0.32757693
 C   -1.82181013   0.75692236   0.26329512
 C    1.10872705  -2.49886489   0.75095837
 H   -0.04858537  -2.03655148  -1.70897319
 H   -1.51668998  -1.10529841   1.37705071
 H   -2.27229789  -1.34533255  -0.18975334
 H   -1.81650973   1.16951517   1.28606652
 H   -2.84986028   0.90466545  -0.11153666
 H   -1.20378727   2.67892607  -0.50659049
 H   -0.99997554   1.35652595  -1.67174690
 H    2.20942124   0.26555170  -0.44472412
 H    1.24404707   0.40577078  -1.91724438
 H    0.50007482  -3.39977808   0.93868518
 H    1.32807519  -2.02310624   1.72124038
 H    2.06297436  -2.82316544   0.30314691
 H    1.95125406   1.91688878   1.21496007
 H    0.39707131   2.76918370   1.40063909
 H    0.51806926   1.03443156   1.81850619
 23
 Energy -581.4410399978  Point 219  Step 10.518
 N    0.54843906   1.55358221  -0.29950315
 C    1.16751646   0.32034316  -0.82012904
 C   -0.88532712   1.62505909  -0.59869892
 C    0.86471665   1.81333712   1.09497916
 Si   0.19704265  -1.30291184  -0.41256130
 C   -1.49721712  -0.76646529   0.31505172
 C   -1.81886493   0.75544309   0.27180341
 C    1.10990800  -2.49342228   0.75657031
 H   -0.03976923  -2.04284145  -1.70768766
 H   -1.54104385  -1.12753746   1.35784980
 H   -2.27317133  -1.33521046  -0.22508618
 H   -1.79789967   1.15730391   1.29875319
 H   -2.85091994   0.91316880  -0.08821707
 H   -1.20509798   2.67985511  -0.49519303
 H   -1.00774971   1.36127790  -1.66599054
 H    2.20833006   0.26689937  -0.45482398
 H    1.23485304   0.40670026  -1.92186483
 H    0.50342474  -3.39567025   0.94447716
 H    1.32579888  -2.01519161   1.72661239
 H    2.06614863  -2.81589513   0.31148873
 H    1.95710486   1.91659957   1.20834389
 H    0.40298532   2.76736779   1.40224257
 H    0.52765104   1.03232664   1.81736421
 23
 Energy -581.4411413183  Point 220  Step 10.518
 N    0.54761554   1.55389451  -0.30003466
 C    1.16435660   0.32111702  -0.82434832
 C   -0.88763744   1.62617766  -0.59243866
 C    0.87026595   1.81247010   1.09322471
 Si   0.19785349  -1.30359702  -0.41297257
 C   -1.50293576  -0.77014434   0.30245726
 C   -1.81591927   0.75368916   0.28027260
 C    1.11105818  -2.48788532   0.76216942
 H   -0.03112625  -2.04944725  -1.70617290
 H   -1.56568970  -1.14917884   1.33771880
 H   -2.27340666  -1.32428038  -0.26018946
 H   -1.77941922   1.14448523   1.31094259
 H   -2.85158928   0.92089073  -0.06462500
 H   -1.20655064   2.68079227  -0.48377286
 H   -1.01545626   1.36603834  -1.65987458
 H    2.20745665   0.26829397  -0.46524475
 H    1.22506958   0.40794246  -1.92639904
 H    0.50653545  -3.39148078   0.95040808
 H    1.32330701  -2.00732638   1.73159588
 H    2.06914737  -2.80862364   0.31994907
 H    1.96308639   1.91658400   1.20146470
 H    0.40901489   2.76557371   1.40380491
 H    0.53751083   1.03018379   1.81653225
 23
 Energy -581.4412578709  Point 221  Step 10.520
 N    0.54673896   1.55421267  -0.30047355
 C    1.16101190   0.32194567  -0.82871437
 C   -0.88993579   1.62741575  -0.58591526
 C    0.87598089   1.81156541   1.09150283
 Si   0.19863851  -1.30431070  -0.41343872
 C   -1.50848891  -0.77368788   0.28981414
 C   -1.81292336   0.75153678   0.28859887
 C    1.11209347  -2.48226483   0.76784988
 H   -0.02252205  -2.05598421  -1.70461205
 H   -1.58959287  -1.17044005   1.31729111
 H   -2.27339691  -1.31304492  -0.29464648
 H   -1.76140545   1.13147006   1.32286345
 H   -2.85209632   0.92807661  -0.04149028
 H   -1.20810245   2.68156525  -0.47173221
 H   -1.02320384   1.37109137  -1.65377458
 H    2.20636185   0.26972002  -0.47634215
 H    1.21471870   0.40908619  -1.93117676
 H    0.50989160  -3.38737548   0.95583236
 H    1.32006281  -1.99934949   1.73726159
 H    2.07254031  -2.80079399   0.32893328
 H    1.96922596   1.91669465   1.19447291
 H    0.41521142   2.76389582   1.40535893
 H    0.54778377   1.02835217   1.81554809
 23
 Energy -581.4413839324  Point 222  Step 10.522
 N    0.54582517   1.55458887  -0.30089472
 C    1.15750185   0.32279682  -0.83312778
 C   -0.89229153   1.62871676  -0.57917086
 C    0.88183229   1.81060719   1.08970931
 Si   0.19941016  -1.30505235  -0.41398337
 C   -1.51380967  -0.77712912   0.27710882
 C   -1.80997427   0.74913877   0.29685823
 C    1.11303327  -2.47651331   0.77364497
 H   -0.01391112  -2.06267329  -1.70304717
 H   -1.61322298  -1.19103126   1.29600187
 H   -2.27279108  -1.30132123  -0.32849658
 H   -1.74366240   1.11750530   1.33434430
 H   -2.85217091   0.93431769  -0.01844369
 H   -1.20953051   2.68254701  -0.45891811
 H   -1.03118457   1.37681567  -1.64723833
 H    2.20514303   0.27110610  -0.48719507
 H    1.20447538   0.41045786  -1.93583242
 H    0.51333068  -3.38347411   0.96124521
 H    1.31626148  -1.99134591   1.74264740
 H    2.07583884  -2.79247076   0.33824314
 H    1.97548785   1.91650508   1.18730739
 H    0.42182283   2.76209320   1.40698860
 H    0.55802078   1.02618834   1.81472897
 23
 Energy -581.4415196121  Point 223  Step 10.524
 N    0.54487827   1.55491879  -0.30127437
 C    1.15390897   0.32364576  -0.83758367
 C   -0.89466002   1.63002271  -0.57218669
 C    0.88775847   1.80963984   1.08790549
 Si   0.20017756  -1.30581791  -0.41455926
 C   -1.51896433  -0.78044329   0.26428718
 C   -1.80703731   0.74655539   0.30508802
 C    1.11386875  -2.47066364   0.77948059
 H   -0.00523585  -2.06933002  -1.70141751
 H   -1.63630522  -1.21118552   1.27443514
 H   -2.27195757  -1.28912285  -0.36199988
 H   -1.72673762   1.10350126   1.34575811
 H   -2.85217780   0.94002630   0.00407182
 H   -1.21087449   2.68331952  -0.44585595
 H   -1.03922547   1.38251157  -1.64070187
 H    2.20370231   0.27257854  -0.49842824
 H    1.19388672   0.41171230  -1.94059554
 H    0.51660855  -3.37919926   0.96677363
 H    1.31269806  -1.98309855   1.74843115
 H    2.07911456  -2.78422674   0.34752479
 H    1.98182706   1.91633028   1.17998963
 H    0.42857364   2.76040968   1.40870036
 H    0.56867583   1.02415963   1.81351838
 23
 Energy -581.4416673552  Point 224  Step 10.526
 N    0.54391427   1.55519005  -0.30157836
 C    1.15023401   0.32445634  -0.84209240
 C   -0.89700014   1.63128868  -0.56505492
 C    0.89381116   1.80874965   1.08606421
 Si   0.20088180  -1.30662709  -0.41520224
 C   -1.52397781  -0.78356677   0.25142743
 C   -1.80412328   0.74371318   0.31323133
 C    1.11466480  -2.46461884   0.78543156
 H    0.00320110  -2.07610100  -1.69976153
 H   -1.65907959  -1.23085093   1.25196439
 H   -2.27061596  -1.27634916  -0.39487014
 H   -1.70992683   1.08878864   1.35665905
 H   -2.85176225   0.94509798   0.02664713
 H   -1.21215901   2.68419972  -0.43240622
 H   -1.04726960   1.38843792  -1.63372544
 H    2.20233282   0.27396016  -0.50971743
 H    1.18315119   0.41312071  -1.94525936
 H    0.51983542  -3.37488434   0.97268248
 H    1.30905557  -1.97464887   1.75374650
 H    2.08207241  -2.77586462   0.35681091
 H    1.98826639   1.91597145   1.17269555
 H    0.43558446   2.75881180   1.41007188
 H    0.57874278   1.02239507   1.81278038
 23
 Energy -581.4418208073  Point 225  Step 10.530
 N    0.54293596   1.55540467  -0.30181407
 C    1.14648259   0.32522580  -0.84658796
 C   -0.89931972   1.63254509  -0.55778393
 C    0.89989621   1.80787674   1.08422172
 Si   0.20150703  -1.30747674  -0.41589441
 C   -1.52885600  -0.78654333   0.23850442
 C   -1.80114619   0.74064934   0.32129874
 C    1.11539462  -2.45842644   0.79137123
 H    0.01160273  -2.08291305  -1.69802846
 H   -1.68135465  -1.24998820   1.22931529
 H   -2.26895644  -1.26332982  -0.42732297
 H   -1.69329289   1.07402208   1.36736659
 H   -2.85135831   0.94959897   0.04903296
 H   -1.21341078   2.68477471  -0.41853799
 H   -1.05542255   1.39451230  -1.62690165
 H    2.20068096   0.27530083  -0.52110420
 H    1.17232251   0.41446099  -1.94997513
 H    0.52331335  -3.37033251   0.97870722
 H    1.30530262  -1.96572705   1.75946685
 H    2.08522970  -2.76726727   0.36627288
 H    1.99476136   1.91535027   1.16533884
 H    0.44297884   2.75761406   1.41125621
 H    0.58899568   1.02115055   1.81195922
 23
 Energy -581.44198615  Point 226  Step 10.533
 N    0.54191360   1.55559254  -0.30202064
 C    1.14266013   0.32600148  -0.85114255
 C   -0.90163088   1.63378119  -0.55035006
 C    0.90607594   1.80701275   1.08234298
 Si   0.20208648  -1.30832505  -0.41662144
 C   -1.53354110  -0.78939044   0.22555843
 C   -1.79820967   0.73734369   0.32929673
 C    1.11606202  -2.45209510   0.79739464
 H    0.02010602  -2.08982283  -1.69625232
 H   -1.70345051  -1.26863763   1.20583108
 H   -2.26686060  -1.24959742  -0.45918244
 H   -1.67711679   1.05874031   1.37756785
 H   -2.85048351   0.95350760   0.07121900
 H   -1.21472149   2.68547578  -0.40437791
 H   -1.06350482   1.40081443  -1.61958746
 H    2.19904699   0.27665720  -0.53240544
 H    1.16144579   0.41594948  -1.95458870
 H    0.52673540  -3.36591137   0.98478708
 H    1.30123791  -1.95687401   1.76480495
 H    2.08820379  -2.75828963   0.37582892
 H    2.00131414   1.91474853   1.15781372
 H    0.45054988   2.75623927   1.41255104
 H    0.59928477   1.01944872   1.81122738
 23
 Energy -581.4421565496  Point 227  Step 10.537
 N    0.54088390   1.55579099  -0.30218058
 C    1.13875306   0.32679941  -0.85573345
 C   -0.90395524   1.63500337  -0.54267569
 C    0.91237496   1.80607060   1.08043290
 Si   0.20267431  -1.30914152  -0.41742366
 C   -1.53809617  -0.79215423   0.21256580
 C   -1.79528468   0.73378709   0.33720028
 C    1.11653317  -2.44566493   0.80348427
 H    0.02857235  -2.09670055  -1.69441989
 H   -1.72476702  -1.28669724   1.18231985
 H   -2.26445770  -1.23587896  -0.49052128
 H   -1.66149057   1.04323154   1.38773020
 H   -2.84967711   0.95660354   0.09285827
 H   -1.21605540   2.68588124  -0.38976674
 H   -1.07169233   1.40725392  -1.61230605
 H    2.19717970   0.27805314  -0.54405061
 H    1.15029670   0.41740636  -1.95929871
 H    0.53023644  -3.36129883   0.99106116
 H    1.29723564  -1.94745018   1.77046571
 H    2.09115384  -2.74920618   0.38555446
 H    2.00797808   1.91409880   1.15017355
 H    0.45823731   2.75492519   1.41381590
 H    0.60997120   1.01806592   1.81029225
 23
 Energy -581.4423361216  Point 228  Step 10.542
 N    0.53981877   1.55599533  -0.30228562
 C    1.13473285   0.32762233  -0.86040053
 C   -0.90625866   1.63617098  -0.53480627
 C    0.91881698   1.80515419   1.07848672
 Si   0.20323443  -1.30995702  -0.41828268
 C   -1.54244314  -0.79482708   0.19960148
 C   -1.79246279   0.72995720   0.34497970
 C    1.11695261  -2.43905678   0.80965259
 H    0.03720192  -2.10356856  -1.69264090
 H   -1.74562224  -1.30423043   1.15814266
 H   -2.26153533  -1.22191813  -0.52106732
 H   -1.64637861   1.02728705   1.39730463
 H   -2.84846684   0.95915808   0.11417410
 H   -1.21723289   2.68638524  -0.37466358
 H   -1.07992138   1.41399929  -1.60454923
 H    2.19542978   0.27944436  -0.55603696
 H    1.13870635   0.41895901  -1.96394419
 H    0.53319166  -3.35637257   0.99737030
 H    1.29259274  -1.93827395   1.77592693
 H    2.09396278  -2.74006201   0.39559100
 H    2.01474867   1.91351329   1.14229568
 H    0.46615901   2.75347900   1.41515368
 H    0.62084402   1.01631619   1.80955964
 23
 Energy -581.4425423517  Point 229  Step 10.547
 N    0.53875717   1.55610844  -0.30231924
 C    1.13062581   0.32840654  -0.86504644
 C   -0.90848799   1.63744680  -0.52676037
 C    0.92528033   1.80411942   1.07659358
 Si   0.20366693  -1.31091984  -0.41921708
 C   -1.54662334  -0.79734204   0.18664359
 C   -1.78958292   0.72596553   0.35258705
 C    1.11744481  -2.43207393   0.81582058
 H    0.04557503  -2.11052167  -1.69084707
 H   -1.76612049  -1.32123271   1.13389280
 H   -2.25852378  -1.20763063  -0.55107287
 H   -1.63181900   1.01116773   1.40676178
 H   -2.84726491   0.96123231   0.13485031
 H   -1.21821372   2.68672230  -0.35916159
 H   -1.08816211   1.42096765  -1.59686040
 H    2.19336218   0.28078589  -0.56806870
 H    1.12703135   0.42054218  -1.96859531
 H    0.53650884  -3.35113160   1.00342149
 H    1.28781180  -1.92856939   1.78181972
 H    2.09698948  -2.73045428   0.40567972
 H    2.02152798   1.91271437   1.13453164
 H    0.47412797   2.75208007   1.41649222
 H    0.63166647   1.01480804   1.80857950
 23
 Energy -581.4427171802  Point 230  Step 10.554
 N    0.53766096   1.55616685  -0.30228142
 C    1.12639929   0.32915238  -0.86980543
 C   -0.91074429   1.63870042  -0.51857018
 C    0.93180812   1.80304770   1.07465684
 Si   0.20414172  -1.31179250  -0.42026436
 C   -1.55067543  -0.79981949   0.17366085
 C   -1.78672089   0.72173290   0.36010360
 C    1.11770556  -2.42501698   0.82213065
 H    0.05390280  -2.11759621  -1.68896932
 H   -1.78547785  -1.33711877   1.10954144
 H   -2.25527210  -1.19337345  -0.58000512
 H   -1.61728103   0.99460933   1.41567265
 H   -2.84569918   0.96272813   0.15562647
 H   -1.21918700   2.68713799  -0.34322702
 H   -1.09647047   1.42836375  -1.58875938
 H    2.19130771   0.28212376  -0.58022812
 H    1.11513596   0.42222266  -1.97320988
 H    0.54012357  -3.34615457   1.01024073
 H    1.28278399  -1.91830517   1.78710916
 H    2.09988819  -2.72022519   0.41613600
 H    2.02836886   1.91149001   1.12666711
 H    0.48261161   2.75072728   1.41769182
 H    0.64230365   1.01316695   1.80792861
 23
 Energy -581.4429101872  Point 231  Step 10.560
 N    0.53647656   1.55624200  -0.30217368
 C    1.12213110   0.33003534  -0.87465353
 C   -0.91305359   1.63985590  -0.51020555
 C    0.93844547   1.80189876   1.07269628
 Si   0.20473228  -1.31255183  -0.42138004
 C   -1.55437049  -0.80215218   0.16077744
 C   -1.78394144   0.71724633   0.36754832
 C    1.11762824  -2.41803867   0.82848929
 H    0.06244180  -2.12441825  -1.68714005
 H   -1.80465030  -1.35331987   1.08466746
 H   -2.25155274  -1.17895065  -0.60852379
 H   -1.60330757   0.97789378   1.42451910
 H   -2.84431948   0.96358901   0.17597119
 H   -1.22007495   2.68721398  -0.32697306
 H   -1.10481454   1.43576514  -1.58070526
 H    2.18906637   0.28372342  -0.59282428
 H    1.10295911   0.42402698  -1.97794364
 H    0.54286980  -3.34077822   1.01695492
 H    1.27737426  -1.90813167   1.79290113
 H    2.10251059  -2.71052178   0.42685745
 H    2.03531860   1.90996656   1.11866557
 H    0.49140219   2.74952777   1.41887147
 H    0.65293754   1.01182962   1.80700414
 23
 Energy -581.4431108333  Point 232  Step 10.567
 N    0.53529017   1.55631676  -0.30205347
 C    1.11782870   0.33096443  -0.87952662
 C   -0.91531605   1.64092785  -0.50171009
 C    0.94512459   1.80071741   1.07070836
 Si   0.20531035  -1.31333698  -0.42252665
 C   -1.55788635  -0.80437251   0.14795596
 C   -1.78123549   0.71258344   0.37492443
 C    1.11746480  -2.41085439   0.83489791
 H    0.07084077  -2.13115098  -1.68534488
 H   -1.82361288  -1.36902928   1.05919910
 H   -2.24709179  -1.16393023  -0.63669800
 H   -1.58995479   0.96105401   1.43291120
 H   -2.84258880   0.96371525   0.19573064
 H   -1.22109250   2.68726851  -0.31058338
 H   -1.11316659   1.44307319  -1.57218170
 H    2.18690180   0.28541060  -0.60544848
 H    1.09066776   0.42589697  -1.98257777
 H    0.54534165  -3.33531081   1.02349909
 H    1.27149213  -1.89794890   1.79836927
 H    2.10488452  -2.70083415   0.43786880
 H    2.04227361   1.90837987   1.11059455
 H    0.50031890   2.74817079   1.42005338
 H    0.66356296   1.01013429   1.80623476
 23
 Energy -581.4433144551  Point 233  Step 10.575
 N    0.53411403   1.55636413  -0.30188718
 C    1.11343879   0.33188762  -0.88447830
 C   -0.91757935   1.64199029  -0.49298752
 C    0.95184570   1.79945598   1.06871936
 Si   0.20586937  -1.31409436  -0.42376267
 C   -1.56123637  -0.80651968   0.13505813
 C   -1.77850887   0.70769040   0.38215957
 C    1.11710469  -2.40353134   0.84137837
 H    0.07935984  -2.13793035  -1.68348707
 H   -1.84131552  -1.38384746   1.03414671
 H   -2.24288476  -1.14930335  -0.66385737
 H   -1.57676227   0.94380048   1.44122049
 H   -2.84098680   0.96349853   0.21537441
 H   -1.22181232   2.68715724  -0.29375782
 H   -1.12154489   1.45060440  -1.56364343
 H    2.18447599   0.28716247  -0.61827748
 H    1.07825284   0.42779670  -1.98727799
 H    0.54787557  -3.32957683   1.03045140
 H    1.26575396  -1.88732290   1.80412531
 H    2.10715841  -2.69087037   0.44881332
 H    2.04924553   1.90675975   1.10246848
 H    0.50925694   2.74682158   1.42127479
 H    0.67438196   1.00859481   1.80520494
 23
 Energy -581.4435181289  Point 234  Step 10.584
 N    0.53290918   1.55637679  -0.30165454
 C    1.10898828   0.33283432  -0.88945199
 C   -0.91976142   1.64300903  -0.48418274
 C    0.95862326   1.79814048   1.06671473
 Si   0.20638946  -1.31486111  -0.42508381
 C   -1.56444024  -0.80861083   0.12227664
 C   -1.77578135   0.70258656   0.38926132
 C    1.11665132  -2.39597365   0.84793380
 H    0.08782657  -2.14462677  -1.68171167
 H   -1.85858266  -1.39820675   1.00873595
 H   -2.23832412  -1.13454020  -0.69022639
 H   -1.56397406   0.92650128   1.44895491
 H   -2.83896277   0.96280967   0.23461078
 H   -1.22269217   2.68693808  -0.27648384
 H   -1.12994092   1.45845791  -1.55476548
 H    2.18209472   0.28892801  -0.63121883
 H    1.06558449   0.42976168  -1.99188134
 H    0.55041873  -3.32382743   1.03752190
 H    1.25954030  -1.87641987   1.80952717
 H    2.10929648  -2.68042879   0.45996703
 H    2.05623672   1.90502018   1.09428866
 H    0.51838354   2.74533402   1.42248776
 H    0.68515164   1.00676581   1.80435252
 23
 Energy -581.4437337668  Point 235  Step 10.594
 N    0.53172916   1.55653048  -0.30136284
 C    1.10442905   0.33385712  -0.89446075
 C   -0.92178705   1.64399645  -0.47525158
 C    0.96551316   1.79669399   1.06473548
 Si   0.20687677  -1.31560950  -0.42647692
 C   -1.56749778  -0.81070212   0.10964174
 C   -1.77299833   0.69720560   0.39615557
 C    1.11603597  -2.38823583   0.85447791
 H    0.09625702  -2.15124266  -1.67994800
 H   -1.87537218  -1.41215961   0.98349961
 H   -2.23365217  -1.11982275  -0.71597252
 H   -1.55157874   0.90913979   1.45650781
 H   -2.83698225   0.96159674   0.25318421
 H   -1.22504088   2.68592422  -0.25852140
 H   -1.13820320   1.46643284  -1.54590283
 H    2.17945195   0.29076525  -0.64445195
 H    1.05263017   0.43185402  -1.99650753
 H    0.55273127  -3.31768061   1.04459487
 H    1.25305526  -1.86509721   1.81513673
 H    2.11141825  -2.67004865   0.47148774
 H    2.06334026   1.90288580   1.08606932
 H    0.52783420   2.74383515   1.42389698
 H    0.69595581   1.00492009   1.80312119
 23
 Energy -581.4439322045  Point 236  Step 10.604
 N    0.53052115   1.55658102  -0.30103041
 C    1.09981196   0.33493159  -0.89953435
 C   -0.92397245   1.64492937  -0.46611799
 C    0.97241928   1.79512990   1.06273883
 Si   0.20740602  -1.31631016  -0.42800013
 C   -1.57033466  -0.81277257   0.09708987
 C   -1.77037776   0.69165774   0.40290666
 C    1.11528170  -2.38027832   0.86110888
 H    0.10473216  -2.15781435  -1.67823542
 H   -1.89129830  -1.42550064   0.95825248
 H   -2.22878660  -1.10541234  -0.74069277
 H   -1.53967761   0.89135911   1.46364361
 H   -2.83487401   0.95975184   0.27156354
 H   -1.22450913   2.68578127  -0.24066807
 H   -1.14649188   1.47476721  -1.53666358
 H    2.17682314   0.29266280  -0.65776431
 H    1.03959047   0.43409987  -2.00106312
 H    0.55468039  -3.31131628   1.05189120
 H    1.24609369  -1.85366633   1.82054436
 H    2.11336977  -2.65958313   0.48347917
 H    2.07041901   1.90059825   1.07782145
 H    0.53743615   2.74219480   1.42526152
 H    0.70670824   1.00287674   1.80216851
 23
 Energy -581.4441399317  Point 237  Step 10.615
 N    0.52923621   1.55636552  -0.30064299
 C    1.09530334   0.33590699  -0.90461908
 C   -0.92611134   1.64585413  -0.45686168
 C    0.97931171   1.79345491   1.06073588
 Si   0.20798985  -1.31694609  -0.42958076
 C   -1.57301677  -0.81468648   0.08455319
 C   -1.76791672   0.68604503   0.40955772
 C    1.11436519  -2.37216870   0.86778484
 H    0.11318630  -2.16430586  -1.67649487
 H   -1.90661700  -1.43841726   0.93303576
 H   -2.22370149  -1.09084960  -0.76504410
 H   -1.52813900   0.87360865   1.47064745
 H   -2.83304178   0.95759810   0.28952525
 H   -1.22410954   2.68533818  -0.22250738
 H   -1.15498667   1.48324108  -1.52736180
 H    2.17412993   0.29461981  -0.67115250
 H    1.02659792   0.43628116  -2.00562386
 H    0.55693631  -3.30483593   1.05941176
 H    1.23896086  -1.84168785   1.82604513
 H    2.11528281  -2.64853486   0.49537486
 H    2.07744839   1.89821616   1.06951646
 H    0.54700426   2.74058363   1.42642225
 H    0.71748917   1.00102755   1.80114359
 23
 Energy -581.4443452686  Point 238  Step 10.627
 N    0.52794973   1.55615101  -0.30014361
 C    1.09066900   0.33691679  -0.90973238
 C   -0.92811940   1.64665581  -0.44751566
 C    0.98630195   1.79178973   1.05869733
 Si   0.20853479  -1.31759502  -0.43123548
 C   -1.57554809  -0.81652069   0.07214246
 C   -1.76542919   0.68024549   0.41603200
 C    1.11335157  -2.36383414   0.87451173
 H    0.12157745  -2.17075539  -1.67477639
 H   -1.92148860  -1.45087231   0.90763650
 H   -2.21834762  -1.07624662  -0.78863615
 H   -1.51715028   0.85581929   1.47722209
 H   -2.83083557   0.95510790   0.30687841
 H   -1.22494020   2.68437673  -0.20388016
 H   -1.16326950   1.49170732  -1.51776436
 H    2.17136720   0.29662204  -0.68462559
 H    1.01344907   0.43855552  -2.01007765
 H    0.55897036  -3.29821483   1.06700674
 H    1.23155022  -1.82944911   1.83124224
 H    2.11699581  -2.63738865   0.50748331
 H    2.08455792   1.89564112   1.06105035
 H    0.55689460   2.73894950   1.42759967
 H    0.72825781   0.99899884   1.80018192
 23
 Energy -581.4445475034  Point 239  Step 10.639
 N    0.52665905   1.55601140  -0.29957653
 C    1.08594809   0.33802038  -0.91486302
 C   -0.93012630   1.64740722  -0.43802326
 C    0.99334602   1.78996092   1.05667403
 Si   0.20908206  -1.31825365  -0.43300601
 C   -1.57788514  -0.81834974   0.05984527
 C   -1.76295960   0.67425385   0.42235223
 C    1.11216352  -2.35529521   0.88125904
 H    0.13006135  -2.17717295  -1.67309071
 H   -1.93571409  -1.46279526   0.88259636
 H   -2.21318311  -1.06210468  -0.81137462
 H   -1.50652399   0.83798976   1.48364636
 H   -2.82877699   0.95207149   0.32373780
 H   -1.22489889   2.68339712  -0.18520389
 H   -1.17153253   1.50024040  -1.50808399
 H    2.16838626   0.29872080  -0.69833650
 H    1.00002152   0.44098832  -2.01451132
 H    0.56095731  -3.29128518   1.07466839
 H    1.22375539  -1.81684489   1.83660250
 H    2.11871467  -2.62588664   0.51995589
 H    2.09169642   1.89276828   1.05250747
 H    0.56701779   2.73726968   1.42885428
 H    0.73910303   0.99691651   1.79898198
 23
 Energy -581.4447475866  Point 240  Step 10.653
 N    0.52538317   1.55586864  -0.29897291
 C    1.08119440   0.33915745  -0.92007155
 C   -0.93207788   1.64810085  -0.42848534
 C    1.00043303   1.78795185   1.05466554
 Si   0.20962632  -1.31881684  -0.43484480
 C   -1.58010049  -0.82019187   0.04769052
 C   -1.76052682   0.66808958   0.42849627
 C    1.11082684  -2.34653194   0.88805996
 H    0.13856467  -2.18351159  -1.67141769
 H   -1.94913705  -1.47431251   0.85770429
 H   -2.20780156  -1.04810814  -0.83329932
 H   -1.49606156   0.81991936   1.48958484
 H   -2.82650415   0.94871308   0.34050790
 H   -1.22545056   2.68216305  -0.16620119
 H   -1.17970666   1.50884236  -1.49815716
 H    2.16539986   0.30091283  -0.71208743
 H    0.98654491   0.44349584  -2.01890703
 H    0.56272808  -3.28425861   1.08234267
 H    1.21552811  -1.80421637   1.84184612
 H    2.12024678  -2.61408053   0.53262447
 H    2.09886651   1.88949531   1.04403328
 H    0.57744521   2.73541432   1.43016613
 H    0.74977472   0.99458757   1.79798605
 23
 Energy -581.4449411825  Point 241  Step 10.667
 N    0.52410978   1.55564665  -0.29828231
 C    1.07641162   0.34034177  -0.92531851
 C   -0.93400510   1.64867122  -0.41884602
 C    1.00757206   1.78587940   1.05266845
 Si   0.21017531  -1.31930820  -0.43677799
 C   -1.58215088  -0.82204647   0.03568277
 C   -1.75810563   0.66173831   0.43446821
 C    1.10928141  -2.33757025   0.89489077
 H    0.14702287  -2.18971944  -1.66976843
 H   -1.96189224  -1.48540137   0.83319810
 H   -2.20251045  -1.03442714  -0.85456390
 H   -1.48607211   0.80184240   1.49540544
 H   -2.82435255   0.94484848   0.35667118
 H   -1.22538513   2.68072582  -0.14713164
 H   -1.18773285   1.51745492  -1.48820171
 H    2.16223569   0.30316228  -0.72598473
 H    0.97294570   0.44612386  -2.02329072
 H    0.56454620  -3.27703384   1.08979195
 H    1.20664030  -1.79125453   1.84727011
 H    2.12176434  -2.60178667   0.54566296
 H    2.10604733   1.88596259   1.03562020
 H    0.58811246   2.73365831   1.43140445
 H    0.76035066   0.99245677   1.79689674
 23
 Energy -581.4451354521  Point 242  Step 10.682
 N    0.52282417   1.55537076  -0.29753609
 C    1.07163769   0.34153255  -0.93054940
 C   -0.93582981   1.64916745  -0.40912504
 C    1.01473046   1.78376413   1.05065705
 Si   0.21075317  -1.31978970  -0.43881717
 C   -1.58403006  -0.82386530   0.02383357
 C   -1.75579644   0.65525450   0.44028444
 C    1.10755653  -2.32839741   0.90174550
 H    0.15551526  -2.19583529  -1.66820805
 H   -1.97410329  -1.49607756   0.80880994
 H   -2.19710108  -1.02089665  -0.87500017
 H   -1.47654765   0.78371444   1.50080847
 H   -2.82209046   0.94050819   0.37231363
 H   -1.22552123   2.67912296  -0.12767557
 H   -1.19573776   1.52625650  -1.47797811
 H    2.15911073   0.30550896  -0.73991583
 H    0.95927289   0.44876806  -2.02754419
 H    0.56618787  -3.26969930   1.09747360
 H    1.19716287  -1.77792603   1.85237096
 H    2.12314548  -2.58918734   0.55911258
 H    2.11325200   1.88214113   1.02714000
 H    0.59899740   2.73194022   1.43245594
 H    0.77070039   0.99025818   1.79593872
 23
 Energy -581.4453360405  Point 243  Step 10.698
 N    0.52153286   1.55502665  -0.29668917
 C    1.06687767   0.34275670  -0.93580626
 C   -0.93757170   1.64955375  -0.39937051
 C    1.02185712   1.78153655   1.04866219
 Si   0.21133172  -1.32024527  -0.44095819
 C   -1.58582259  -0.82567946   0.01214048
 C   -1.75349193   0.64862937   0.44596273
 C    1.10567790  -2.31898946   0.90863113
 H    0.16388582  -2.20180568  -1.66673703
 H   -1.98572715  -1.50642740   0.78478651
 H   -2.19174088  -1.00770194  -0.89488683
 H   -1.46704397   0.76587525   1.50601562
 H   -2.81989359   0.93613616   0.38762294
 H   -1.22537874   2.67722635  -0.10821017
 H   -1.20370911   1.53498978  -1.46772916
 H    2.15586387   0.30793656  -0.75404673
 H    0.94553012   0.45157622  -2.03176156
 H    0.56777417  -3.26202073   1.10524778
 H    1.18739013  -1.76419492   1.85754032
 H    2.12444787  -2.57618872   0.57279346
 H    2.12037368   1.87808529   1.01866750
 H    0.61000654   2.73022066   1.43347995
 H    0.78112898   0.98817665   1.79500710
 23
 Energy -581.4455111145  Point 244  Step 10.715
 N    0.52024996   1.55465702  -0.29582479
 C    1.06209099   0.34401459  -0.94109186
 C   -0.93932164   1.64985019  -0.38956484
 C    1.02899537   1.77914910   1.04669573
 Si   0.21192011  -1.32065562  -0.44318906
 C   -1.58745549  -0.82748056   0.00060948
 C   -1.75115694   0.64194401   0.45148461
 C    1.10362320  -2.30931527   0.91554527
 H    0.17236411  -2.20774039  -1.66526295
 H   -1.99670020  -1.51621371   0.76111353
 H   -2.18650539  -0.99470615  -0.91382939
 H   -1.45794903   0.74773634   1.51089612
 H   -2.81752647   0.93111431   0.40262941
 H   -1.22530900   2.67521966  -0.08859691
 H   -1.21164591   1.54372291  -1.45722275
 H    2.15258270   0.31041095  -0.76813630
 H    0.93176781   0.45443624  -2.03590018
 H    0.56939955  -3.25435181   1.11287263
 H    1.17712662  -1.75047139   1.86263111
 H    2.12561267  -2.56270499   0.58671795
 H    2.12748611   1.87391178   1.01015835
 H    0.62108138   2.72823476   1.43466141
 H    0.79150404   0.98562999   1.79399408
 23
 Energy -581.4456878606  Point 245  Step 10.733
 N    0.51896720   1.55428153  -0.29494007
 C    1.05728403   0.34531291  -0.94638744
 C   -0.94106377   1.65010686  -0.37966496
 C    1.03612328   1.77658635   1.04473781
 Si   0.21254563  -1.32100895  -0.44550766
 C   -1.58889004  -0.82926131  -0.01074720
 C   -1.74886387   0.63509451   0.45685119
 C    1.10138159  -2.29948946   0.92245727
 H    0.18092125  -2.21361227  -1.66378564
 H   -2.00709340  -1.52575209   0.73779220
 H   -2.18125806  -0.98198499  -0.93222500
 H   -1.44909938   0.72979434   1.51561786
 H   -2.81528887   0.92592894   0.41717140
 H   -1.22495554   2.67296270  -0.06869260
 H   -1.21955137   1.55268057  -1.44666105
 H    2.14911884   0.31295982  -0.78212033
 H    0.91823642   0.45741417  -2.04001879
 H    0.57083098  -3.24635640   1.12054839
 H    1.16635220  -1.73639071   1.86771244
 H    2.12661981  -2.54904039   0.60087595
 H    2.13451590   1.86952386   1.00171462
 H    0.63211150   2.72604306   1.43591070
 H    0.80180849   0.98288285   1.79267744
 23
 Energy -581.4458615636  Point 246  Step 10.752
 N    0.51766345   1.55382254  -0.29396771
 C    1.05249300   0.34667464  -0.95173126
 C   -0.94268632   1.65022782  -0.36970662
 C    1.04327459   1.77389578   1.04276182
 Si   0.21320789  -1.32128337  -0.44789423
 C   -1.59023219  -0.83106513  -0.02191138
 C   -1.74670056   0.62815001   0.46206101
 C    1.09898852  -2.28944786   0.92938129
 H    0.18942836  -2.21933097  -1.66233532
 H   -2.01702153  -1.53507402   0.71455771
 H   -2.17595316  -0.96952600  -0.94992646
 H   -1.44084421   0.71198645   1.52003640
 H   -2.81300003   0.92034853   0.43095596
 H   -1.22458700   2.67057026  -0.04879186
 H   -1.22721947   1.56160623  -1.43587231
 H    2.14568007   0.31563513  -0.79619428
 H    0.90457723   0.46049350  -2.04406369
 H    0.57199747  -3.23815303   1.12842969
 H    1.15522326  -1.72195852   1.87248939
 H    2.12750168  -2.53508013   0.61538276
 H    2.14154855   1.86515421   0.99312896
 H    0.64318527   2.72359596   1.43731936
 H    0.81235627   0.97979313   1.79139336
 23
 Energy -581.446026754  Point 247  Step 10.771
 N    0.51637139   1.55335690  -0.29294371
 C    1.04771069   0.34809071  -0.95706762
 C   -0.94429484   1.65025410  -0.35972870
 C    1.05046198   1.77102936   1.04079177
 Si   0.21389759  -1.32149419  -0.45034405
 C   -1.59145679  -0.83286147  -0.03295201
 C   -1.74457921   0.62112125   0.46712625
 C    1.09643351  -2.27922091   0.93629921
 H    0.19801401  -2.22494120  -1.66090541
 H   -2.02638239  -1.54399277   0.69188383
 H   -2.17074174  -0.95736909  -0.96709004
 H   -1.43295817   0.69389567   1.52434403
 H   -2.81088237   0.91442057   0.44468125
 H   -1.22409650   2.66790963  -0.02890581
 H   -1.23484097   1.57035081  -1.42504498
 H    2.14211415   0.31844877  -0.81031161
 H    0.89089279   0.46363633  -2.04804899
 H    0.57313960  -3.22974148   1.13624016
 H    1.14368039  -1.70734798   1.87729382
 H    2.12821846  -2.52082911   0.63004623
 H    2.14852881   1.86074487   0.98454195
 H    0.65422139   2.72091808   1.43880001
 H    0.82297022   0.97656749   1.78995192
 23
 Energy -581.4461871053  Point 248  Step 10.792
 N    0.51507857   1.55285379  -0.29190132
 C    1.04294716   0.34953876  -0.96240683
 C   -0.94584876   1.65017817  -0.34975378
 C    1.05758913   1.76806385   1.03882111
 Si   0.21459449  -1.32165537  -0.45283920
 C   -1.59261461  -0.83464410  -0.04385304
 C   -1.74242491   0.61398229   0.47208716
 C    1.09372693  -2.26882226   0.94321149
 H    0.20664532  -2.23046054  -1.65944839
 H   -2.03522879  -1.55260689   0.66943417
 H   -2.16562070  -0.94549007  -0.98363458
 H   -1.42486327   0.67590444   1.52824906
 H   -2.80855114   0.90834466   0.45838203
 H   -1.22354501   2.66508220  -0.00888850
 H   -1.24246830   1.57931441  -1.41405071
 H    2.13854876   0.32131058  -0.82437825
 H    0.87728598   0.46684543  -2.05193212
 H    0.57434184  -3.22140651   1.14368494
 H    1.13152504  -1.69276957   1.88201536
 H    2.12887087  -2.50592430   0.64496135
 H    2.15544440   1.85615340   0.97596599
 H    0.66528130   2.71812091   1.44029308
 H    0.83348751   0.97312094   1.78852145
 23
 Energy -581.4463352809  Point 249  Step 10.814
 N    0.51383175   1.55229934  -0.29081449
 C    1.03821184   0.35099973  -0.96776675
 C   -0.94729725   1.64991136  -0.33973275
 C    1.06467190   1.76506143   1.03684795
 Si   0.21528487  -1.32176350  -0.45534386
 C   -1.59371527  -0.83640859  -0.05458443
 C   -1.74029506   0.60670041   0.47690613
 C    1.09089099  -2.25824140   0.95007356
 H    0.21519369  -2.23590964  -1.65793423
 H   -2.04403831  -1.56104927   0.64704554
 H   -2.16002735  -0.93359521  -1.00003857
 H   -1.41714512   0.65822170   1.53206495
 H   -2.80616583   0.90261808   0.47127531
 H   -1.22280619   2.66191408   0.01117056
 H   -1.25002589   1.58803808  -1.40294042
 H    2.13486343   0.32408016  -0.83828562
 H    0.86369962   0.47019904  -2.05575634
 H    0.57571073  -3.21298407   1.15096053
 H    1.11882699  -1.67813593   1.88674848
 H    2.12947234  -2.49044422   0.66007226
 H    2.16223692   1.85156762   0.96742270
 H    0.67627476   2.71530048   1.44170422
 H    0.84399084   0.96969843   1.78700667
 23
 Energy -581.4464831608  Point 250  Step 10.836
 N    0.51260093   1.55169862  -0.28967285
 C    1.03347091   0.35247504  -0.97309212
 C   -0.94871728   1.64956301  -0.32973436
 C    1.07178188   1.76198769   1.03488155
 Si   0.21596522  -1.32185292  -0.45792633
 C   -1.59468309  -0.83816199  -0.06523912
 C   -1.73815863   0.59942857   0.48163941
 C    1.08792523  -2.24745675   0.95695316
 H    0.22375547  -2.24125937  -1.65647166
 H   -2.05228085  -1.56898822   0.62510335
 H   -2.15518314  -0.92202787  -1.01547161
 H   -1.40965103   0.64030633   1.53564283
 H   -2.80391173   0.89569414   0.48422716
 H   -1.22213516   2.65866971   0.03094306
 H   -1.25721121   1.59625049  -1.39176765
 H    2.13115985   0.32697059  -0.85225934
 H    0.85017755   0.47353245  -2.05947213
 H    0.57714446  -3.20447494   1.15839861
 H    1.10569151  -1.66321959   1.89126466
 H    2.12995542  -2.47438140   0.67531820
 H    2.16905708   1.84686447   0.95891897
 H    0.68735666   2.71244787   1.44300475
 H    0.85438877   0.96620677   1.78556047
 23
 Energy -581.4466193695  Point 251  Step 10.859
 N    0.51134310   1.55102079  -0.28845368
 C    1.02875844   0.35399656  -0.97836447
 C   -0.95011008   1.64912857  -0.31971215
 C    1.07890505   1.75881155   1.03291049
 Si   0.21669335  -1.32189311  -0.46065221
 C   -1.59550933  -0.83997218  -0.07564272
 C   -1.73605390   0.59204104   0.48621376
 C    1.08473274  -2.23640096   0.96379993
 H    0.23242045  -2.24650813  -1.65509157
 H   -2.05955483  -1.57670603   0.60405224
 H   -2.15066788  -0.91108821  -1.03014082
 H   -1.40241755   0.62267684   1.53903772
 H   -2.80172461   0.88866249   0.49643857
 H   -1.22131719   2.65519829   0.05082756
 H   -1.26441525   1.60465823  -1.38052295
 H    2.12735866   0.33005411  -0.86624039
 H    0.83673178   0.47686315  -2.06312586
 H    0.57859300  -3.19576677   1.16560227
 H    1.09161163  -1.64839181   1.89591960
 H    2.13030869  -2.45793332   0.69121953
 H    2.17581600   1.84198286   0.95031399
 H    0.69858114   2.70949688   1.44434800
 H    0.86485816   0.96268436   1.78407675
 23
 Energy -581.4467475261  Point 252  Step 10.883
 N    0.51010241   1.55023411  -0.28719449
 C    1.02412094   0.35555460  -0.98368239
 C   -0.95138522   1.64852548  -0.30966788
 C    1.08599914   1.75562488   1.03093682
 Si   0.21749070  -1.32184996  -0.46342075
 C   -1.59629995  -0.84184017  -0.08581865
 C   -1.73406559   0.58455733   0.49060704
 C    1.08130914  -2.22521060   0.97064964
 H    0.24104586  -2.25180880  -1.65352604
 H   -2.06659300  -1.58434067   0.58316844
 H   -2.14583393  -0.90038251  -1.04445134
 H   -1.39561667   0.60517121   1.54219149
 H   -2.79944077   0.88187028   0.50827303
 H   -1.22029442   2.65143105   0.07090913
 H   -1.27160928   1.61314160  -1.36906465
 H    2.12360259   0.33318196  -0.88009417
 H    0.82346505   0.48037217  -2.06671706
 H    0.57978724  -3.18696476   1.17272587
 H    1.07724731  -1.63310866   1.90016199
 H    2.13037393  -2.44104829   0.70725927
 H    2.18251111   1.83730882   0.94168981
 H    0.70960850   2.70641716   1.44573199
 H    0.87539801   0.95905589   1.78258544
 23
 Energy -581.4468654157  Point 253  Step 10.907
 N    0.50883176   1.54949827  -0.28591692
 C    1.01950901   0.35717804  -0.98893806
 C   -0.95265276   1.64791327  -0.29963887
 C    1.09309868   1.75224779   1.02895385
 Si   0.21830308  -1.32173478  -0.46626062
 C   -1.59697501  -0.84373145  -0.09587984
 C   -1.73205245   0.57698028   0.49492543
 C    1.07772944  -2.21393186   0.97750384
 H    0.24981090  -2.25682706  -1.65215535
 H   -2.07314508  -1.59171505   0.56274478
 H   -2.14141300  -0.89002921  -1.05817441
 H   -1.38889247   0.58744404   1.54519863
 H   -2.79726308   0.87449306   0.52009057
 H   -1.21924249   2.64751103   0.09100433
 H   -1.27868734   1.62158445  -1.35759816
 H    2.11978100   0.33653967  -0.89386443
 H    0.81030606   0.48386705  -2.07017110
 H    0.58079442  -3.17792103   1.18008408
 H    1.06274542  -1.61766181   1.90425008
 H    2.13020749  -2.42407842   0.72324028
 H    2.18914799   1.83241039   0.93305123
 H    0.72074715   2.70315216   1.44715530
 H    0.88594845   0.95516179   1.78086999
 23
 Energy -581.4469726391  Point 254  Step 10.932
 N    0.50756704   1.54879781  -0.28462773
 C    1.01494462   0.35884848  -0.99408891
 C   -0.95390229   1.64711203  -0.28959031
 C    1.10013697   1.74883316   1.02691184
 Si   0.21913087  -1.32159169  -0.46913744
 C   -1.59757883  -0.84565036  -0.10579254
 C   -1.73001414   0.56934116   0.49911226
 C    1.07397264  -2.20247359   0.98426473
 H    0.25868659  -2.26161026  -1.65084997
 H   -2.07927277  -1.59888792   0.54271115
 H   -2.13695597  -0.87997848  -1.07145985
 H   -1.38200223   0.56983390   1.54789735
 H   -2.79493053   0.86713477   0.53195891
 H   -1.21823000   2.64332435   0.11100530
 H   -1.28569059   1.62990928  -1.34597159
 H    2.11594637   0.33986674  -0.90728925
 H    0.79739339   0.48745337  -2.07350856
 H    0.58171960  -3.16876417   1.18735539
 H    1.04762775  -1.60233260   1.90822912
 H    2.12981470  -2.40680555   0.73956367
 H    2.19571866   1.82708225   0.92422158
 H    0.73223229   2.69992837   1.44856954
 H    0.89638057   0.95121192   1.77917608
 23
 Energy -581.4470688768  Point 255  Step 10.958
 N    0.50636094   1.54802178  -0.28330221
 C    1.01046337   0.36053267  -0.99925564
 C   -0.95505042   1.64609291  -0.27956115
 C    1.10716836   1.74548663   1.02486335
 Si   0.21996289  -1.32141083  -0.47204596
 C   -1.59820012  -0.84754983  -0.11559516
 C   -1.72796334   0.56161600   0.50327811
 C    1.07005874  -2.19083418   0.99099113
 H    0.26741710  -2.26648517  -1.64941224
 H   -2.08508485  -1.60596741   0.52286156
 H   -2.13277380  -0.87010502  -1.08433398
 H   -1.37525347   0.55222256   1.55052263
 H   -2.79262343   0.85952820   0.54355498
 H   -1.21711190   2.63890567   0.13071277
 H   -1.29252470   1.63777379  -1.33430801
 H    2.11205707   0.34311497  -0.92047244
 H    0.78470989   0.49110503  -2.07679659
 H    0.58241915  -3.15930771   1.19470461
 H    1.03217432  -1.58658376   1.91189172
 H    2.12919895  -2.38927661   0.75598123
 H    2.20219685   1.82232366   0.91551956
 H    0.74321029   2.69657113   1.44999893
 H    0.90690102   0.94723540   1.77729240
 23
 Energy -581.4471592518  Point 256  Step 10.985
 N    0.50514198   1.54719079  -0.28194045
 C    1.00606327   0.36225339  -1.00438522
 C   -0.95616186   1.64496686  -0.26956558
 C    1.11418476   1.74212126   1.02279554
 Si   0.22079249  -1.32113668  -0.47499834
 C   -1.59873718  -0.84952067  -0.12525624
 C   -1.72587867   0.55376012   0.50733983
 C    1.06594456  -2.17908065   0.99769465
 H    0.27615004  -2.27131756  -1.64786746
 H   -2.09058072  -1.61269300   0.50365467
 H   -2.12874280  -0.86037413  -1.09672233
 H   -1.36872944   0.53468710   1.55300289
 H   -2.79022935   0.85176951   0.55470335
 H   -1.21598313   2.63425425   0.15049271
 H   -1.29942841   1.64543361  -1.32250672
 H    2.10821477   0.34648314  -0.93351942
 H    0.77228445   0.49483092  -2.08001960
 H    0.58331108  -3.15003206   1.20156396
 H    1.01606606  -1.57124955   1.91564365
 H    2.12842314  -2.37089975   0.77259294
 H    2.20858307   1.81819883   0.90667005
 H    0.75385663   2.69295274   1.45152697
 H    0.91819139   0.94297545   1.77534307
 23
 Energy -581.4472439737  Point 257  Step 11.012
 N    0.50392578   1.54629780  -0.28051277
 C    1.00166660   0.36400532  -1.00947534
 C   -0.95722238   1.64371329  -0.25955635
 C    1.12121954   1.73879172   1.02070182
 Si   0.22167856  -1.32086640  -0.47799604
 C   -1.59916284  -0.85148674  -0.13471584
 C   -1.72384432   0.54587876   0.51128123
 C    1.06163313  -2.16720598   1.00436341
 H    0.28495583  -2.27598776  -1.64643570
 H   -2.09579528  -1.61938861   0.48454886
 H   -2.12480446  -0.85102911  -1.10863316
 H   -1.36240837   0.51726888   1.55531759
 H   -2.78793098   0.84372845   0.56549516
 H   -1.21481606   2.62938913   0.17011141
 H   -1.30611694   1.65300947  -1.31067622
 H    2.10431139   0.35003743  -0.94672303
 H    0.75970867   0.49859170  -2.08310308
 H    0.58405271  -3.14053929   1.20877403
 H    0.99974374  -1.55542540   1.91897311
 H    2.12727044  -2.35249342   0.78912963
 H    2.21492910   1.81407483   0.89774338
 H    0.76451909   2.68939342   1.45296821
 H    0.92938633   0.93884778   1.77337940
 23
 Energy -581.4473140039  Point 258  Step 11.039
 N    0.50280348   1.54536872  -0.27907614
 C    0.99729020   0.36572287  -1.01453527
 C   -0.95815862   1.64232042  -0.24953296
 C    1.12823791   1.73559748   1.01859013
 Si   0.22254374  -1.32058601  -0.48098206
 C   -1.59957352  -0.85345699  -0.14410949
 C   -1.72186273   0.53789617   0.51514535
 C    1.05721697  -2.15518172   1.01095689
 H    0.29370703  -2.28061785  -1.64489561
 H   -2.10095795  -1.62603337   0.46537194
 H   -2.12060366  -0.84171972  -1.12048054
 H   -1.35639319   0.49990886   1.55753324
 H   -2.78561700   0.83569104   0.57599239
 H   -1.21339618   2.62423774   0.18988727
 H   -1.31261669   1.66062221  -1.29871538
 H    2.10037618   0.35352380  -0.95979642
 H    0.74722880   0.50232484  -2.08609535
 H    0.58471464  -3.13087611   1.21595573
 H    0.98333295  -1.53989639   1.92230206
 H    2.12586964  -2.33419569   0.80579006
 H    2.22124364   1.80993566   0.88903910
 H    0.77514697   2.68608935   1.45405592
 H    0.94003698   0.93509149   1.77150414
 23
 Energy -581.4473721735  Point 259  Step 11.067
 N    0.50160831   1.54440378  -0.27758843
 C    0.99301675   0.36746534  -1.01947997
 C   -0.95910831   1.64084012  -0.23944360
 C    1.13530651   1.73241628   1.01637641
 Si   0.22340945  -1.32026899  -0.48396465
 C   -1.59994461  -0.85543821  -0.15344451
 C   -1.71993125   0.52988653   0.51884235
 C    1.05268957  -2.14313482   1.01745504
 H    0.30246974  -2.28512369  -1.64334147
 H   -2.10563627  -1.63245201   0.44675155
 H   -2.11672351  -0.83269332  -1.13188888
 H   -1.35062536   0.48245087   1.55953406
 H   -2.78341951   0.82734431   0.58608006
 H   -1.21186605   2.61892917   0.20974899
 H   -1.31918251   1.66819083  -1.28656980
 H    2.09646814   0.35701095  -0.97238619
 H    0.73508998   0.50608759  -2.08895540
 H    0.58589500  -3.12145293   1.22302821
 H    0.96630353  -1.52452097   1.92544213
 H    2.12446770  -2.31486897   0.82262726
 H    2.22754310   1.80575214   0.87997516
 H    0.78608139   2.68287880   1.45502250
 H    0.95105742   0.93141234   1.76963929
 23
 Energy -581.4474192562  Point 260  Step 11.095
 N    0.50039623   1.54343453  -0.27605403
 C    0.98869349   0.36928540  -1.02435911
 C   -0.96003152   1.63928855  -0.22946189
 C    1.14239241   1.72923065   1.01412958
 Si   0.22435207  -1.31988018  -0.48693058
 C   -1.60027362  -0.85748179  -0.16255587
 C   -1.71802719   0.52184653   0.52242541
 C    1.04802266  -2.13113539   1.02388172
 H    0.31189953  -2.28952005  -1.64170039
 H   -2.11008276  -1.63870106   0.42856997
 H   -2.11298689  -0.82401704  -1.14283832
 H   -1.34491720   0.46537210   1.56136485
 H   -2.78118944   0.81897285   0.59599056
 H   -1.21043609   2.61350160   0.22935635
 H   -1.32557819   1.67561648  -1.27445632
 H    2.09245126   0.36066121  -0.98499581
 H    0.72295878   0.50992114  -2.09171179
 H    0.58803590  -3.11295063   1.22804254
 H    0.94709695  -1.51053847   1.92901423
 H    2.12314253  -2.29362308   0.84014642
 H    2.23381224   1.80172174   0.87082776
 H    0.79694320   2.67953883   1.45609200
 H    0.96227541   0.92755603   1.76759149
 23
 Energy -581.447463641  Point 261  Step 11.124
 N    0.49933339   1.54225888  -0.27416550
 C    0.98407589   0.37112913  -1.02987128
 C   -0.96075373   1.63773097  -0.21976551
 C    1.14929894   1.72587311   1.01219220
 Si   0.22543914  -1.31945605  -0.48974221
 C   -1.60037702  -0.85941687  -0.17129105
 C   -1.71620339   0.51408391   0.52567808
 C    1.04341162  -2.11939439   1.03026017
 H    0.32056232  -2.29387163  -1.63980925
 H   -2.11399459  -1.64455486   0.41123915
 H   -2.10926391  -0.81587734  -1.15319561
 H   -1.33955188   0.44898705   1.56288588
 H   -2.77908114   0.81073712   0.60536043
 H   -1.20878847   2.60801748   0.24845258
 H   -1.33135168   1.68287267  -1.26271370
 H    2.08812070   0.36530005  -1.00096897
 H    0.70653333   0.51606178  -2.09369976
 H    0.59141318  -3.10546058   1.23176498
 H    0.92637341  -1.49804137   1.93292840
 H    2.12201125  -2.27110647   0.85834436
 H    2.23987377   1.79758451   0.86213231
 H    0.80754592   2.67604657   1.45731610
 H    0.97327795   0.92358652   1.76590701
 23
 Energy -581.4474651498  Point 262  Step 11.152
 N    0.49802461   1.54149222  -0.27296926
 C    0.98020745   0.37311479  -1.03410647
 C   -0.96177057   1.63596635  -0.21003119
 C    1.15602612   1.72273491   1.00977333
 Si   0.22649162  -1.31892718  -0.49276543
 C   -1.60046214  -0.86141658  -0.18001657
 C   -1.71416530   0.50600080   0.52925957
 C    1.03814829  -2.10765023   1.03644149
 H    0.32929771  -2.29742241  -1.63869747
 H   -2.11754878  -1.65060327   0.39382288
 H   -2.10591480  -0.80752367  -1.16317831
 H   -1.33365782   0.43210214   1.56452183
 H   -2.77672493   0.80206527   0.61527039
 H   -1.20743134   2.60231448   0.26742123
 H   -1.33788424   1.68961902  -1.25060809
 H    2.08439645   0.36852551  -1.01051216
 H    0.69845658   0.51751124  -2.09693056
 H    0.59386461  -3.09749450   1.23649739
 H    0.90574935  -1.48481741   1.93596704
 H    2.11992464  -2.24910213   0.87622176
 H    2.24564867   1.79451789   0.85300222
 H    0.81728783   2.67223011   1.45856355
 H    0.98457574   0.91924086   1.76313302
 23
 Energy -581.4474912383  Point 263  Step 11.175
 N    0.49692052   1.54079773  -0.27176524
 C    0.97686040   0.37469003  -1.03774055
 C   -0.96246437   1.63381950  -0.20023684
 C    1.16287058   1.72124753   1.00700382
 Si   0.22713525  -1.31862046  -0.49568684
 C   -1.60097615  -0.86357167  -0.18885307
 C   -1.71199855   0.49765699   0.53269801
 C    1.03287354  -2.09637183   1.04233442
 H    0.33862923  -2.30070634  -1.63764506
 H   -2.12177074  -1.65653646   0.37629846
 H   -2.10266314  -0.79925745  -1.17332768
 H   -1.32803563   0.41467302   1.56604422
 H   -2.77414647   0.79337321   0.62490964
 H   -1.20576148   2.59598978   0.28669876
 H   -1.34486111   1.69629894  -1.23809997
 H    2.08113519   0.37131572  -1.01898756
 H    0.69019941   0.52061050  -2.09908339
 H    0.59900913  -3.09134745   1.23959662
 H    0.88256197  -1.47367897   1.93915723
 H    2.11806348  -2.22424543   0.89456277
 H    2.25143105   1.79369139   0.84323336
 H    0.82670651   2.67026125   1.45877969
 H    0.99670278   0.91707233   1.76072695
 23
 Energy -581.4474736904  Point 264  Step 11.196
 N    0.49325038   1.54124021  -0.26929841
 C    0.97100962   0.37963031  -1.04311492
 C   -0.96533490   1.62756250  -0.17881936
 C    1.17844567   1.72898138   0.99801924
 Si   0.23031619  -1.31798319  -0.50220921
 C   -1.60029889  -0.86930339  -0.20773665
 C   -1.70491815   0.47695321   0.54232717
 C    1.01470151  -2.08096342   1.05419281
 H    0.36110080  -2.30468711  -1.63803146
 H   -2.12816665  -1.67111967   0.33790097
 H   -2.09525116  -0.78064839  -1.19367263
 H   -1.30832395   0.37437705   1.56926508
 H   -2.76604656   0.77009816   0.65288145
 H   -1.20575552   2.58095023   0.32617287
 H   -1.36012864   1.70515962  -1.21118058
 H    2.07532585   0.38091395  -1.03458307
 H    0.67387565   0.52681789  -2.10159660
 H    0.58310685  -3.07757503   1.24834825
 H    0.84098882  -1.45411034   1.94386322
 H    2.10353068  -2.20240810   0.93044015
 H    2.26367509   1.80853333   0.81618019
 H    0.84364372   2.67688846   1.45306452
 H    1.03042066   0.92535100   1.75613286
 23
 Energy -581.4474743392  Point 265  Step 11.187
 N    0.49126897   1.54186011  -0.26819992
 C    0.96959530   0.38158076  -1.04318556
 C   -0.96674554   1.62409138  -0.16973252
 C    1.18557806   1.73843732   0.99251312
 Si   0.23169157  -1.31820552  -0.50488878
 C   -1.59998490  -0.87204266  -0.21585762
 C   -1.70127238   0.46727646   0.54705661
 C    1.00517322  -2.07820301   1.05829183
 H    0.37106420  -2.30498243  -1.63963506
 H   -2.13081242  -1.67786604   0.32086053
 H   -2.09205891  -0.77223197  -1.20213821
 H   -1.29785468   0.35608209   1.57049993
 H   -2.76172779   0.75909535   0.66703149
 H   -1.20688174   2.57375348   0.34203672
 H   -1.36718641   1.70694138  -1.19965641
 H    2.07383680   0.38463898  -1.03641294
 H    0.67083321   0.52831777  -2.10141740
 H    0.56428923  -3.06992290   1.25664361
 H    0.83281158  -1.44463701   1.94348362
 H    2.09342873  -2.20950507   0.94012897
 H    2.26878477   1.82383518   0.80128713
 H    0.84896940   2.68612690   1.44651042
 H    1.04873755   0.93697583   1.75510489
 23
 Energy -581.4474000968  Point 266  Step 11.174
 N    0.48952149   1.54217728  -0.26719746
 C    0.96894719   0.38275841  -1.04262434
 C   -0.96800333   1.62067025  -0.16033899
 C    1.19272929   1.74914613   0.98680174
 Si   0.23263689  -1.31879068  -0.50738015
 C   -1.59991443  -0.87455345  -0.22404563
 C   -1.69844259   0.45778318   0.55117367
 C    0.99638141  -2.07564049   1.06207552
 H    0.37953676  -2.30560683  -1.64107066
 H   -2.13398648  -1.68408747   0.30375155
 H   -2.08871051  -0.76398037  -1.21078351
 H   -1.29000367   0.33817773   1.57173782
 H   -2.75837520   0.74846879   0.67849897
 H   -1.20679685   2.56641080   0.35929304
 H   -1.37459713   1.70994964  -1.18736905
 H    2.07317646   0.38730923  -1.03632575
 H    0.66968127   0.52921887  -2.10087989
 H    0.54512863  -3.06150881   1.26641554
 H    0.82808308  -1.43408084   1.94226484
 H    2.08354212  -2.21835364   0.94754853
 H    2.27383765   1.84018674   0.78628478
 H    0.85428431   2.69728473   1.43865408
 H    1.06707661   0.95076314   1.75465503
 23
 Energy -581.447335877  Point 267  Step 11.156
 N    0.48783610   1.54189020  -0.26553951
 C    0.96846814   0.38336269  -1.04127648
 C   -0.96902460   1.61715746  -0.15121559
 C    1.20046224   1.76130156   0.98073450
 Si   0.23294706  -1.31973948  -0.50948205
 C   -1.60041307  -0.87694643  -0.23230477
 C   -1.69643612   0.44869053   0.55466705
 C    0.98886614  -2.07326313   1.06522677
 H    0.38690224  -2.30662768  -1.64215821
 H   -2.13794815  -1.68990279   0.28655704
 H   -2.08535344  -0.75585211  -1.21968621
 H   -1.28423048   0.32086707   1.57276155
 H   -2.75583183   0.73866340   0.68805942
 H   -1.20662539   2.55918524   0.37548181
 H   -1.38109126   1.71251439  -1.17568594
 H    2.07263686   0.38864961  -1.03413646
 H    0.67018816   0.53001356  -2.09993009
 H    0.52752100  -3.05293687   1.27674164
 H    0.82709029  -1.42344043   1.94057483
 H    2.07451728  -2.22788937   0.95194468
 H    2.27914161   1.85854798   0.77004048
 H    0.85975585   2.71010812   1.42947619
 H    1.08729904   0.96702632   1.75492266
 23
 Energy -581.4472507296  Point 268  Step 11.133
 N    0.48623530   1.54089311  -0.26329389
 C    0.96834790   0.38336661  -1.03913763
 C   -0.96988835   1.61376633  -0.14238663
 C    1.20857698   1.77466088   0.97437870
 Si   0.23278415  -1.32103757  -0.51134703
 C   -1.60127709  -0.87923614  -0.24022980
 C   -1.69552893   0.44021329   0.55734123
 C    0.98259515  -2.07117053   1.06776889
 H    0.39327504  -2.30792151  -1.64308503
 H   -2.14299499  -1.69490898   0.26987344
 H   -2.08190961  -0.74836232  -1.22847922
 H   -1.28095350   0.30476223   1.57353172
 H   -2.75460240   0.72944625   0.69503818
 H   -1.20603305   2.55213621   0.39132277
 H   -1.38652269   1.71553648  -1.16455616
 H    2.07245190   0.38891602  -1.03007482
 H    0.67217809   0.53038536  -2.09849822
 H    0.51136531  -3.04429837   1.28759408
 H    0.82883437  -1.41289719   1.93824424
 H    2.06639949  -2.23791539   0.95436823
 H    2.28441149   1.87934041   0.75263043
 H    0.86468387   2.72402500   1.41950499
 H    1.10941372   0.98524400   1.75562949
 23
 Energy -581.4471448093  Point 269  Step 11.107
 N    0.48482432   1.53910148  -0.26045293
 C    0.96866146   0.38272213  -1.03636989
 C   -0.97045838   1.61033556  -0.13393246
 C    1.21707609   1.78893753   0.96787428
 Si   0.23218378  -1.32256416  -0.51296407
 C   -1.60262776  -0.88142287  -0.24776236
 C   -1.69599803   0.43242712   0.55911069
 C    0.97757628  -2.06910306   1.06977816
 H    0.39804540  -2.30940363  -1.64394070
 H   -2.14773267  -1.69969258   0.25445036
 H   -2.07905126  -0.74221893  -1.23691639
 H   -1.28083788   0.28985697   1.57411851
 H   -2.75476694   0.72180130   0.69900767
 H   -1.20516145   2.54514217   0.40649582
 H   -1.39099187   1.71878522  -1.15399159
 H    2.07268313   0.38795759  -1.02425295
 H    0.67568322   0.53056042  -2.09668710
 H    0.49757503  -3.03579734   1.29862265
 H    0.83275158  -1.40249384   1.93542905
 H    2.05943213  -2.24708565   0.95473877
 H    2.28960867   1.90253427   0.73447659
 H    0.86875984   2.73858743   1.40893195
 H    1.13360604   1.00502957   1.75665668
 23
 Energy -581.4470131347  Point 270  Step 11.077
 N    0.48353460   1.53640118  -0.25677639
 C    0.96924933   0.38155459  -1.03313964
 C   -0.97084508   1.60694281  -0.12596739
 C    1.22585171   1.80379385   0.96130093
 Si   0.23121949  -1.32433360  -0.51444018
 C   -1.60421363  -0.88343763  -0.25482813
 C   -1.69770178   0.42541557   0.56007372
 C    0.97377984  -2.06685531   1.07136331
 H    0.40142557  -2.31126309  -1.64466742
 H   -2.15258967  -1.70402980   0.23994387
 H   -2.07618449  -0.73692510  -1.24507045
 H   -1.28382563   0.27647202   1.57472774
 H   -2.75633385   0.71548493   0.69995838
 H   -1.20394486   2.53843153   0.42067065
 H   -1.39425595   1.72188637  -1.14435374
 H    2.07317693   0.38609230  -1.01741491
 H    0.67998673   0.53073429  -2.09443431
 H    0.48626528  -3.02756206   1.30935695
 H    0.83798676  -1.39222107   1.93226620
 H    2.05364019  -2.25507020   0.95383001
 H    2.29453969   1.92718721   0.71513445
 H    0.87235800   2.75345056   1.39821583
 H    1.15961938   1.02580872   1.75777285
 23
 Energy -581.4468579636  Point 271  Step 11.047
 N    0.48244604   1.53278942  -0.25247440
 C    0.97006782   0.37995406  -1.02977060
 C   -0.97105560   1.60373491  -0.11827596
 C    1.23469202   1.81873582   0.95469661
 Si   0.23004401  -1.32621513  -0.51578796
 C   -1.60593092  -0.88536986  -0.26141581
 C   -1.70046388   0.41924177   0.56027540
 C    0.97094789  -2.06438785   1.07261572
 H    0.40367156  -2.31345721  -1.64519092
 H   -2.15778306  -1.70768961   0.22646707
 H   -2.07341280  -0.73257297  -1.25288488
 H   -1.28960214   0.26445284   1.57527721
 H   -2.75942803   0.70913707   0.69811191
 H   -1.20231071   2.53203572   0.43437439
 H   -1.39658960   1.72546084  -1.13525734
 H    2.07387390   0.38357323  -1.00990938
 H    0.68503067   0.53106571  -2.09213327
 H    0.47710066  -3.01941281   1.31995846
 H    0.84388830  -1.38206154   1.92879576
 H    2.04890255  -2.26165828   0.95227316
 H    2.29906696   1.95387677   0.69568342
 H    0.87437704   2.76773729   1.38745999
 H    1.18749551   1.04704442   1.75875581
 23
 Energy -581.4466699285  Point 272  Step 11.015
 N    0.48136946   1.52841440  -0.24742045
 C    0.97108231   0.37818185  -1.02617239
 C   -0.97119901   1.60060205  -0.11095682
 C    1.24374001   1.83361511   0.94799858
 Si   0.22877988  -1.32806484  -0.51705538
 C   -1.60780873  -0.88726108  -0.26757179
 C   -1.70430685   0.41364001   0.55976713
 C    0.96893170  -2.06182601   1.07355678
 H    0.40514108  -2.31572823  -1.64564235
 H   -2.16240206  -1.71123837   0.21438997
 H   -2.07109304  -0.72951834  -1.26026733
 H   -1.29772494   0.25384130   1.57572642
 H   -2.76355851   0.70440586   0.69400789
 H   -1.20058934   2.52596433   0.44726114
 H   -1.39817756   1.72921242  -1.12672644
 H    2.07476289   0.38055595  -1.00164729
 H    0.69083841   0.53174037  -2.08964070
 H    0.46989505  -3.01172519   1.33006268
 H    0.84986924  -1.37229998   1.92512564
 H    2.04505951  -2.26695182   0.95030700
 H    2.30352970   1.97965227   0.67577829
 H    0.87728866   2.78249713   1.37584097
 H    1.21562392   1.06936673   1.76020990
 23
 Energy -581.4464626433  Point 273  Step 10.982
 N    0.48027824   1.52322787  -0.24151133
 C    0.97235693   0.37623742  -1.02246440
 C   -0.97131205   1.59753539  -0.10420110
 C    1.25280638   1.84848544   0.94129157
 Si   0.22747468  -1.32987481  -0.51827001
 C   -1.60969376  -0.88903806  -0.27316015
 C   -1.70899783   0.40878985   0.55866684
 C    0.96754702  -2.05921022   1.07420491
 H    0.40564089  -2.31815616  -1.64600461
 H   -2.16645600  -1.71462498   0.20345024
 H   -2.06899750  -0.72749267  -1.26714182
 H   -1.30792723   0.24445728   1.57608182
 H   -2.76869589   0.70032278   0.68789926
 H   -1.19888681   2.52019760   0.45907666
 H   -1.39881770   1.73280279  -1.11920875
 H    2.07587220   0.37718032  -0.99313152
 H    0.69688795   0.53288914  -2.08696352
 H    0.46413601  -3.00433083   1.33924134
 H    0.85599873  -1.36304742   1.92144390
 H    2.04204374  -2.27135706   0.94813677
 H    2.30733223   2.00527476   0.65435105
 H    0.88031770   2.79674509   1.36535758
 H    1.24453003   1.09173677   1.76114135
 23
 Energy -581.4462235212  Point 274  Step 10.950
 N    0.47930515   1.51716930  -0.23497711
 C    0.97382967   0.37412508  -1.01885871
 C   -0.97131148   1.59451813  -0.09803297
 C    1.26162698   1.86316701   0.93464371
 Si   0.22616025  -1.33162733  -0.51944101
 C   -1.61156033  -0.89065445  -0.27811656
 C   -1.71434390   0.40466877   0.55713430
 C    0.96671089  -2.05654503   1.07463698
 H    0.40515575  -2.32093551  -1.64615033
 H   -2.17004094  -1.71772061   0.19391023
 H   -2.06726729  -0.72631126  -1.27334142
 H   -1.31942931   0.23697182   1.57639032
 H   -2.77453079   0.69721995   0.68029434
 H   -1.19710644   2.51482787   0.46968290
 H   -1.39845516   1.73614326  -1.11260528
 H    2.07717086   0.37348728  -0.98441951
 H    0.70339966   0.53435485  -2.08429174
 H    0.45939880  -2.99730325   1.34770376
 H    0.86214308  -1.35417682   1.91764600
 H    2.03956082  -2.27505294   0.94560950
 H    2.31002498   2.03402778   0.63303224
 H    0.88055854   2.80928607   1.35580705
 H    1.27579000   1.11359028   1.76121454
 23
 Energy -581.4459606038  Point 275  Step 10.917
 N    0.47835710   1.51029721  -0.22774130
 C    0.97540025   0.37195988  -1.01533802
 C   -0.97122264   1.59164440  -0.09231443
 C    1.27021492   1.87756614   0.92801170
 Si   0.22487798  -1.33329496  -0.52060350
 C   -1.61339147  -0.89211243  -0.28256335
 C   -1.72016219   0.40127023   0.55519982
 C    0.96629458  -2.05388198   1.07484013
 H    0.40423026  -2.32386133  -1.64616325
 H   -2.17302569  -1.72053387   0.18566920
 H   -2.06586549  -0.72613823  -1.27904370
 H   -1.33223656   0.22999370   1.57650192
 H   -2.78087201   0.69504252   0.67136543
 H   -1.19527072   2.50996945   0.47917732
 H   -1.39737703   1.73913814  -1.10683854
 H    2.07851676   0.36969097  -0.97575514
 H    0.71009696   0.53624978  -2.08169698
 H    0.45583535  -2.99052266   1.35569391
 H    0.86820516  -1.34580672   1.91390293
 H    2.03771381  -2.27795748   0.94318292
 H    2.31180582   2.06359290   0.61127746
 H    0.87962143   2.82076555   1.34704377
 H    1.30790214   1.13535021   1.76055721
 23
 Energy -581.4456711616  Point 276  Step 10.885
 N    0.47737489   1.50258692  -0.21974036
 C    0.97705113   0.36979940  -1.01196404
 C   -0.97111417   1.58884312  -0.08715919
 C    1.27853634   1.89168496   0.92139162
 Si   0.22369097  -1.33484451  -0.52176356
 C   -1.61510804  -0.89342155  -0.28655552
 C   -1.72631518   0.39848840   0.55292447
 C    0.96621936  -2.05120904   1.07490566
 H    0.40260959  -2.32689456  -1.64610862
 H   -2.17561799  -1.72286389   0.17887189
 H   -2.06471749  -0.72649477  -1.28421048
 H   -1.34585276   0.22442970   1.57656063
 H   -2.78758353   0.69320963   0.66160537
 H   -1.19346097   2.50541446   0.48768872
 H   -1.39550707   1.74207655  -1.10190426
 H    2.07993170   0.36587528  -0.96741642
 H    0.71657960   0.53867461  -2.07898910
 H    0.45284725  -2.98412139   1.36291679
 H    0.87386647  -1.33781525   1.91013700
 H    2.03620335  -2.28037270   0.94059379
 H    2.31262298   2.09324591   0.58926422
 H    0.87810858   2.83153847   1.33866465
 H    1.34052168   1.15717307   1.75949477
 23
 Energy -581.4453562896  Point 277  Step 10.855
 N    0.47637436   1.49407933  -0.21098114
 C    0.97869263   0.36768359  -1.00880884
 C   -0.97098672   1.58610723  -0.08255609
 C    1.28655571   1.90549771   0.91477939
 Si   0.22258724  -1.33626407  -0.52291612
 C   -1.61669523  -0.89452831  -0.29007170
 C   -1.73271714   0.39616422   0.55048436
 C    0.96636363  -2.04856821   1.07478331
 H    0.40054734  -2.33001373  -1.64593644
 H   -2.17766425  -1.72535979   0.17230593
 H   -2.06349505  -0.72693200  -1.28894137
 H   -1.35934811   0.22085233   1.57643663
 H   -2.79448621   0.69218453   0.65131400
 H   -1.19182026   2.50129887   0.49495342
 H   -1.39286904   1.74462784  -1.09795187
 H    2.08131848   0.36205469  -0.95947120
 H    0.72274491   0.54170169  -2.07640903
 H    0.45049554  -2.97786238   1.36954346
 H    0.87944571  -1.33025741   1.90645779
 H    2.03510694  -2.28243307   0.93848809
 H    2.31253509   2.12314650   0.56694089
 H    0.87602471   2.84145877   1.33091942
 H    1.37351545   1.17902135   1.75769067
 23
 Energy -581.4450285954  Point 278  Step 10.825
 N    0.47533783   1.48479648  -0.20153465
 C    0.98034618   0.36567271  -1.00587789
 C   -0.97081031   1.58356170  -0.07839492
 C    1.29419189   1.91895238   0.90815507
 Si   0.22158900  -1.33756144  -0.52410674
 C   -1.61817921  -0.89548288  -0.29319797
 C   -1.73910032   0.39438855   0.54780849
 C    0.96663357  -2.04589422   1.07469062
 H    0.39828829  -2.33322164  -1.64567090
 H   -2.17935388  -1.72760968   0.16662383
 H   -2.06252746  -0.72800723  -1.29324688
 H   -1.37314486   0.21797596   1.57623434
 H   -2.80139677   0.69134329   0.64074871
 H   -1.19030110   2.49769566   0.50121702
 H   -1.38961332   1.74687776  -1.09466426
 H    2.08270307   0.35839459  -0.95199196
 H    0.72863177   0.54522597  -2.07375533
 H    0.44872777  -2.97218543   1.37540973
 H    0.88486662  -1.32339492   1.90322687
 H    2.03401904  -2.28393755   0.93514099
 H    2.31122951   2.15329103   0.54450184
 H    0.87292502   2.85021408   1.32398697
 H    1.40694654   1.20061138   1.75515271
 23
 Energy -581.444687603  Point 279  Step 10.796
 N    0.47423684   1.47480467  -0.19138785
 C    0.98196129   0.36379474  -1.00319423
 C   -0.97059644   1.58119461  -0.07462792
 C    1.30143400   1.93201263   0.90153422
 Si   0.22075358  -1.33874181  -0.52536403
 C   -1.61947874  -0.89629209  -0.29600073
 C   -1.74553405   0.39312998   0.54496260
 C    0.96702899  -2.04330231   1.07448035
 H    0.39571323  -2.33653117  -1.64536847
 H   -2.18074784  -1.72912149   0.16247257
 H   -2.06216516  -0.72978107  -1.29699913
 H   -1.38633981   0.21503317   1.57541593
 H   -2.80828111   0.69087548   0.63029198
 H   -1.18864909   2.49443589   0.50685431
 H   -1.38589808   1.74912487  -1.09203392
 H    2.08403232   0.35482521  -0.94496068
 H    0.73420791   0.54959584  -2.07127801
 H    0.44752177  -2.96686773   1.38025472
 H    0.88868287  -1.31693606   1.90002616
 H    2.03343477  -2.28466856   0.93300835
 H    2.30883351   2.18343606   0.52166888
 H    0.86915656   2.85807538   1.31766775
 H    1.44042244   1.22222836   1.75176684
 23
 Energy -581.44433071  Point 280  Step 10.769
 N    0.47311000   1.46417215  -0.18061481
 C    0.98344923   0.36207029  -1.00076741
 C   -0.97033067   1.57896943  -0.07126703
 C    1.30830618   1.94473110   0.89482677
 Si   0.22000853  -1.33975890  -0.52658257
 C   -1.62063671  -0.89696471  -0.29840427
 C   -1.75192020   0.39232940   0.54196675
 C    0.96762723  -2.04092256   1.07395217
 H    0.39283053  -2.33984208  -1.64496136
 H   -2.18175214  -1.73071705   0.15876416
 H   -2.06161006  -0.73152810  -1.30038369
 H   -1.39976530   0.21325509   1.57465850
 H   -2.81516231   0.69075188   0.61919127
 H   -1.18705367   2.49146745   0.51177994
 H   -1.38153743   1.75130434  -1.09000479
 H    2.08526175   0.35144453  -0.93849606
 H    0.73930575   0.55445502  -2.06872030
 H    0.44621096  -2.96187378   1.38457639
 H    0.89198914  -1.31078296   1.89646601
 H    2.03343243  -2.28522563   0.93319475
 H    2.30531512   2.21337638   0.49889745
 H    0.86515425   2.86502262   1.31215942
 H    1.47370516   1.24341625   1.74750717
 23
 Energy -581.4439758402  Point 281  Step 10.742
 N    0.47199191   1.45297324  -0.16927470
 C    0.98490012   0.36047367  -0.99848856
 C   -0.96998750   1.57689974  -0.06832425
 C    1.31474790   1.95704988   0.88810480
 Si   0.21931375  -1.34060366  -0.52773939
 C   -1.62170621  -0.89753723  -0.30058230
 C   -1.75813065   0.39172571   0.53879806
 C    0.96831065  -2.03862244   1.07344418
 H    0.38988011  -2.34302709  -1.64443456
 H   -2.18268576  -1.73189388   0.15557781
 H   -2.06082468  -0.73312485  -1.30359573
 H   -1.41322459   0.21352640   1.57401936
 H   -2.82176065   0.69089619   0.60807329
 H   -1.18536066   2.48872536   0.51618068
 H   -1.37673275   1.75363726  -1.08861425
 H    2.08642200   0.34812704  -0.93251763
 H    0.74404328   0.55992448  -2.06628738
 H    0.44494478  -2.95695813   1.38811165
 H    0.89594085  -1.30519443   1.89342559
 H    2.03312443  -2.28628132   0.93147873
 H    2.30076081   2.24312974   0.47599942
 H    0.86064194   2.87113898   1.30726312
 H    1.50651857   1.26456390   1.74224037
 23
 Energy -581.4436260129  Point 282  Step 10.717
 N    0.47083701   1.44126664  -0.15740654
 C    0.98630619   0.35903881  -0.99639327
 C   -0.96964303   1.57488612  -0.06571288
 C    1.32076441   1.96903507   0.88125683
 Si   0.21868051  -1.34130255  -0.52889083
 C   -1.62276397  -0.89794683  -0.30261593
 C   -1.76404293   0.39159967   0.53563497
 C    0.96902434  -2.03636850   1.07285515
 H    0.38698490  -2.34612451  -1.64388878
 H   -2.18330995  -1.73303434   0.15286470
 H   -2.06032373  -0.73531158  -1.30665975
 H   -1.42549282   0.21334540   1.57293854
 H   -2.82806173   0.69123032   0.59758082
 H   -1.18372074   2.48622812   0.51992158
 H   -1.37143238   1.75573448  -1.08760141
 H    2.08756052   0.34497104  -0.92691154
 H    0.74830505   0.56586451  -2.06362599
 H    0.44402247  -2.95250417   1.39148602
 H    0.89986304  -1.30030267   1.89069414
 H    2.03296779  -2.28710091   0.92946752
 H    2.29501475   2.27244490   0.45299728
 H    0.85566123   2.87625725   1.30304430
 H    1.53934108   1.28544464   1.73623309
 23
 Energy -581.4432731063  Point 283  Step 10.692
 N    0.46966620   1.42915374  -0.14504325
 C    0.98763552   0.35780714  -0.99442794
 C   -0.96925666   1.57310885  -0.06337516
 C    1.32644515   1.98059468   0.87437094
 Si   0.21811451  -1.34183966  -0.53003704
 C   -1.62367398  -0.89826679  -0.30442388
 C   -1.76984232   0.39166970   0.53237170
 C    0.96978176  -2.03433806   1.07217001
 H    0.38395347  -2.34906765  -1.64334317
 H   -2.18332186  -1.73397500   0.15098531
 H   -2.06020059  -0.73765415  -1.30928940
 H   -1.43729471   0.21379679   1.57158374
 H   -2.83416222   0.69179099   0.58712709
 H   -1.18215974   2.48428553   0.52288035
 H   -1.36581160   1.75785452  -1.08721553
 H    2.08861389   0.34196013  -0.92177897
 H    0.75236072   0.57239664  -2.06116054
 H    0.44315859  -2.94814703   1.39424560
 H    0.90371107  -1.29568167   1.88798745
 H    2.03290710  -2.28807385   0.92749493
 H    2.28832486   2.30165961   0.43007075
 H    0.85045196   2.88038995   1.29976270
 H    1.57167705   1.30579077   1.72869533
 23
 Energy -581.4429605303  Point 284  Step 10.669
 N    0.46849566   1.41675860  -0.13227930
 C    0.98885960   0.35676808  -0.99261941
 C   -0.96875292   1.57157169  -0.06130222
 C    1.33178929   1.99182526   0.86735513
 Si   0.21759904  -1.34224349  -0.53115324
 C   -1.62443950  -0.89847603  -0.30607365
 C   -1.77550414   0.39184837   0.52901872
 C    0.97060187  -2.03241312   1.07138264
 H    0.38100495  -2.35190831  -1.64277691
 H   -2.18355582  -1.73473280   0.14916763
 H   -2.06009217  -0.73991191  -1.31168477
 H   -1.44867499   0.21445093   1.57013014
 H   -2.84018514   0.69208299   0.57696303
 H   -1.18056623   2.48234633   0.52581963
 H   -1.35982904   1.76009951  -1.08690046
 H    2.08955859   0.33898794  -0.91665601
 H    0.75620539   0.57938113  -2.05849271
 H    0.44228787  -2.94430606   1.39647385
 H    0.90701350  -1.29162290   1.88539691
 H    2.03283927  -2.28911158   0.92576691
 H    2.28044820   2.33046085   0.40714694
 H    0.84512698   2.88344433   1.29761633
 H    1.60380205   1.32546420   1.72015002
 23
 Energy -581.4426705989  Point 285  Step 10.646
 N    0.46732758   1.40413924  -0.11918641
 C    0.98998987   0.35586538  -0.99086603
 C   -0.96821942   1.57008306  -0.05936862
 C    1.33674767   2.00269221   0.86028693
 Si   0.21711711  -1.34255268  -0.53224952
 C   -1.62521506  -0.89860260  -0.30769610
 C   -1.78084334   0.39218216   0.52570909
 C    0.97140093  -2.03064745   1.07055938
 H    0.37837892  -2.35459998  -1.64210557
 H   -2.18356081  -1.73538484   0.14743105
 H   -2.05961116  -0.74209523  -1.31422095
 H   -1.45927245   0.21547422   1.56848872
 H   -2.84561220   0.69316237   0.56719201
 H   -1.17890724   2.48062397   0.52840614
 H   -1.35373900   1.76250126  -1.08688391
 H    2.09041681   0.33610019  -0.91204313
 H    0.75986617   0.58692308  -2.05589361
 H    0.44158294  -2.94062401   1.39804504
 H    0.91012391  -1.28779177   1.88292563
 H    2.03298619  -2.28974838   0.92414779
 H    2.27134315   2.35925999   0.38382972
 H    0.83982221   2.88585310   1.29608294
 H    1.63565908   1.34494319   1.71019473
 23
 Energy -581.4424136193  Point 286  Step 10.624
 N    0.46622113   1.39136404  -0.10580850
 C    0.99107075   0.35512284  -0.98915851
 C   -0.96757241   1.56872966  -0.05764101
 C    1.34134518   2.01336345   0.85302595
 Si   0.21665851  -1.34276571  -0.53334256
 C   -1.62593370  -0.89866446  -0.30922937
 C   -1.78587985   0.39274167   0.52240136
 C    0.97222064  -2.02899136   1.06966958
 H    0.37595137  -2.35706969  -1.64161582
 H   -2.18355415  -1.73590654   0.14612459
 H   -2.05977461  -0.74441465  -1.31637065
 H   -1.46965821   0.21646910   1.56686787
 H   -2.85104553   0.69328774   0.55746437
 H   -1.17718324   2.47893195   0.53091514
 H   -1.34724051   1.76470132  -1.08699917
 H    2.09121800   0.33335046  -0.90744513
 H    0.76292398   0.59473301  -2.05287883
 H    0.44099621  -2.93736896   1.39963426
 H    0.91286947  -1.28437496   1.88049354
 H    2.03297038  -2.29077174   0.92222179
 H    2.26116018   2.38753240   0.36068619
 H    0.83432355   2.88716161   1.29568100
 H    1.66711054   1.36395150   1.69924897
 23
 Energy -581.4422135431  Point 287  Step 10.603
 N    0.46517900   1.37848041  -0.09220912
 C    0.99209601   0.35450532  -0.98742535
 C   -0.96684638   1.56741381  -0.05597869
 C    1.34553552   2.02365279   0.84571104
 Si   0.21622840  -1.34286187  -0.53438374
 C   -1.62665132  -0.89869222  -0.31072296
 C   -1.79070239   0.39333117   0.51905454
 C    0.97300659  -2.02757587   1.06872076
 H    0.37361359  -2.35907729  -1.64130386
 H   -2.18336536  -1.73635341   0.14496317
 H   -2.05978083  -0.74665640  -1.31853727
 H   -1.47937124   0.21789530   1.56503149
 H   -2.85578590   0.69490617   0.54793352
 H   -1.17550249   2.47741916   0.53310491
 H   -1.34045924   1.76724588  -1.08730427
 H    2.09198993   0.33076593  -0.90324736
 H    0.76621788   0.60290381  -2.04998253
 H    0.44070429  -2.93450966   1.40046838
 H    0.91516728  -1.28120008   1.87807406
 H    2.03325834  -2.29106558   0.92065720
 H    2.24957976   2.41590262   0.33729360
 H    0.82893603   2.88791737   1.29570842
 H    1.69818213   1.38270160   1.68688817
 23
 Energy -581.4420562388  Point 288  Step 10.583
 N    0.46410958   1.36551565  -0.07841030
 C    0.99304515   0.35400659  -0.98575908
 C   -0.96615442   1.56637945  -0.05457568
 C    1.34940124   2.03369848   0.83823262
 Si   0.21580329  -1.34287030  -0.53540133
 C   -1.62717150  -0.89855527  -0.31217640
 C   -1.79521653   0.39409334   0.51573947
 C    0.97381593  -2.02628662   1.06767001
 H    0.37104752  -2.36122155  -1.64084152
 H   -2.18306696  -1.73657283   0.14396448
 H   -2.05940095  -0.74865717  -1.32071322
 H   -1.48811206   0.21926007   1.56303544
 H   -2.86065494   0.69499220   0.53947453
 H   -1.17377669   2.47588491   0.53549874
 H   -1.33342572   1.76986863  -1.08775258
 H    2.09267415   0.32795997  -0.89886690
 H    0.76910309   0.61132852  -2.04678390
 H    0.44049927  -2.93217858   1.40085243
 H    0.91701149  -1.27882910   1.87604504
 H    2.03350850  -2.29165906   0.91920022
 H    2.23688971   2.44424067   0.31437985
 H    0.82330811   2.88693060   1.29784650
 H    1.72921160   1.40033128   1.67289316
 23
 Energy -581.4419633673  Point 289  Step 10.563
 N    0.46324109   1.35278273  -0.06460472
 C    0.99415120   0.35359020  -0.98387705
 C   -0.96526089   1.56519299  -0.05337139
 C    1.35296077   2.04346593   0.83080772
 Si   0.21525610  -1.34281722  -0.53636632
 C   -1.62790076  -0.89857189  -0.31349765
 C   -1.79946077   0.39489583   0.51246051
 C    0.97457765  -2.02509413   1.06650933
 H    0.36883504  -2.36268612  -1.64078440
 H   -2.18305363  -1.73669649   0.14338567
 H   -2.05961712  -0.75085528  -1.32259241
 H   -1.49658545   0.22096570   1.56102933
 H   -2.86532135   0.69499567   0.53091248
 H   -1.17222777   2.47475018   0.53672904
 H   -1.32602314   1.77182431  -1.08859646
 H    2.09347486   0.32549704  -0.89438972
 H    0.77201729   0.62002344  -2.04328630
 H    0.44098051  -2.93012907   1.40124288
 H    0.91875184  -1.27620151   1.87361847
 H    2.03403996  -2.29118450   0.91737461
 H    2.22232480   2.47308600   0.29097128
 H    0.81784403   2.88520261   1.30078436
 H    1.76063728   1.41768357   1.65722184
 23
 Energy -581.4419361367  Point 290  Step 10.543
 N    0.46251374   1.34012949  -0.05067802
 C    0.99518953   0.35331673  -0.98183321
 C   -0.96420830   1.56392238  -0.05209365
 C    1.35623715   2.05310051   0.82312092
 Si   0.21474696  -1.34257662  -0.53735252
 C   -1.62878788  -0.89871638  -0.31476695
 C   -1.80373909   0.39554651   0.50904721
 C    0.97543315  -2.02394456   1.06532013
 H    0.36677677  -2.36388025  -1.64079337
 H   -2.18312357  -1.73708383   0.14269191
 H   -2.05985925  -0.75325563  -1.32448199
 H   -1.50550378   0.22244553   1.55902835
 H   -2.86901210   0.69785416   0.52189439
 H   -1.17048785   2.47328314   0.53843045
 H   -1.31827992   1.77391343  -1.08923630
 H    2.09420449   0.32207792  -0.88950948
 H    0.77584157   0.62914685  -2.03962730
 H    0.44105922  -2.92833759   1.40060981
 H    0.92017278  -1.27431350   1.87169847
 H    2.03449019  -2.29140625   0.91579131
 H    2.20712506   2.50086099   0.26786640
 H    0.81335093   2.88311746   1.30454319
 H    1.79101713   1.43484483   1.64064999
 23
 Energy -581.4419541843  Point 291  Step 10.524
 N    0.46184475   1.32738287  -0.03644724
 C    0.99583444   0.35315509  -0.98009373
 C   -0.96306683   1.56293573  -0.05053631
 C    1.35932707   2.06242935   0.81528215
 Si   0.21436221  -1.34239105  -0.53822798
 C   -1.62937961  -0.89864147  -0.31624306
 C   -1.80788183   0.39637274   0.50555338
 C    0.97630209  -2.02301299   1.06412834
 H    0.36485453  -2.36511870  -1.64069926
 H   -2.18346716  -1.73700741   0.14156209
 H   -2.05950699  -0.75536758  -1.32668681
 H   -1.51451484   0.22372308   1.55689535
 H   -2.87304980   0.69930690   0.51268138
 H   -1.16857597   2.47171367   0.54100009
 H   -1.31038125   1.77674014  -1.08943985
 H    2.09468930   0.31994831  -0.88653451
 H    0.77671967   0.63893635  -2.03542868
 H    0.44067303  -2.92628356   1.40046343
 H    0.92217428  -1.27229383   1.86953086
 H    2.03479940  -2.29237923   0.91415709
 H    2.19117749   2.52736611   0.24463730
 H    0.80946390   2.88075265   1.30839882
 H    1.82068868   1.45187134   1.62320355
 23
 Energy -581.4420553212  Point 292  Step 10.505
 N    0.46124604   1.31485949  -0.02216805
 C    0.99630977   0.35310768  -0.97810826
 C   -0.96185491   1.56199601  -0.04899620
 C    1.36219573   2.07147884   0.80736669
 Si   0.21390882  -1.34225665  -0.53906462
 C   -1.63001043  -0.89853480  -0.31777170
 C   -1.81182627   0.39723547   0.50205619
 C    0.97719878  -2.02217897   1.06289876
 H    0.36331157  -2.36585451  -1.64099979
 H   -2.18337491  -1.73700575   0.14074311
 H   -2.05938476  -0.75741861  -1.32883909
 H   -1.52287047   0.22533958   1.55462863
 H   -2.87681474   0.70081418   0.50357453
 H   -1.16671275   2.47037767   0.54324343
 H   -1.30210727   1.77960469  -1.08969944
 H    2.09501395   0.31784248  -0.88364372
 H    0.77816516   0.64789787  -2.03138335
 H    0.44084986  -2.92437332   1.40071231
 H    0.92449384  -1.26996111   1.86694231
 H    2.03525612  -2.29284905   0.91195440
 H    2.17337394   2.55431495   0.22107186
 H    0.80615127   2.87752595   1.31333030
 H    1.85089214   1.46837542   1.60383977
 23
 Energy -581.4422230336  Point 293  Step 10.486
 N    0.46076564   1.30266141  -0.00804504
 C    0.99700716   0.35301412  -0.97572080
 C   -0.96059221   1.56110230  -0.04759193
 C    1.36472602   2.08049558   0.79919865
 Si   0.21335751  -1.34200242  -0.53997810
 C   -1.63073124  -0.89855243  -0.31916176
 C   -1.81552536   0.39809939   0.49854824
 C    0.97813581  -2.02142554   1.06150056
 H    0.36181282  -2.36644452  -1.64139710
 H   -2.18371419  -1.73684676   0.14024556
 H   -2.05976973  -0.75975279  -1.33069337
 H   -1.53105665   0.22665756   1.55237737
 H   -2.88034555   0.70224325   0.49503121
 H   -1.16482802   2.46878699   0.54578050
 H   -1.29362906   1.78255164  -1.08992344
 H    2.09540444   0.31454746  -0.87877914
 H    0.78105330   0.65710759  -2.02682262
 H    0.44087130  -2.92263910   1.40068494
 H    0.92674588  -1.26821935   1.86460497
 H    2.03559572  -2.29401135   0.90990157
 H    2.15395567   2.58183372   0.19797082
 H    0.80296734   2.87242427   1.32058125
 H    1.88121180   1.48407374   1.58228332
 23
 Energy -581.4424465305  Point 294  Step 10.466
 N    0.46048442   1.29075528   0.00601340
 C    0.99779858   0.35289774  -0.97322180
 C   -0.95913829   1.56014582  -0.04609786
 C    1.36689914   2.08931555   0.79106728
 Si   0.21276913  -1.34178035  -0.54079429
 C   -1.63147958  -0.89857133  -0.32058005
 C   -1.81909943   0.39892426   0.49504665
 C    0.97895699  -2.02090932   1.06008322
 H    0.36056843  -2.36658015  -1.64202528
 H   -2.18414168  -1.73669279   0.13945804
 H   -2.05962623  -0.76181722  -1.33277291
 H   -1.53912861   0.22814924   1.55006885
 H   -2.88358279   0.70411093   0.48627930
 H   -1.16294845   2.46741845   0.54795532
 H   -1.28498226   1.78529045  -1.09011638
 H    2.09596297   0.31200054  -0.87469970
 H    0.78316066   0.66685482  -2.02183932
 H    0.44104482  -2.92111455   1.40053503
 H    0.92884144  -1.26617315   1.86181964
 H    2.03601216  -2.29459192   0.90752569
 H    2.13243130   2.60966750   0.17455935
 H    0.80030969   2.86704441   1.32823459
 H    1.91172641   1.49993859   1.55907309
 23
 Energy -581.442730394  Point 295  Step 10.447
 N    0.46033842   1.27914192   0.02005030
 C    0.99850275   0.35286356  -0.97050886
 C   -0.95756888   1.55915482  -0.04453955
 C    1.36880469   2.09811173   0.78266859
 Si   0.21217411  -1.34152841  -0.54158617
 C   -1.63222525  -0.89852622  -0.32210066
 C   -1.82257887   0.39977330   0.49154753
 C    0.97980353  -2.02048268   1.05860108
 H    0.35928456  -2.36668582  -1.64271030
 H   -2.18458959  -1.73666365   0.13839083
 H   -2.05939427  -0.76374382  -1.33496459
 H   -1.54732721   0.22923113   1.54778047
 H   -2.88671306   0.70587686   0.47752543
 H   -1.16097932   2.46577772   0.55050883
 H   -1.27588181   1.78786980  -1.09011072
 H    2.09644088   0.30905582  -0.87022438
 H    0.78531636   0.67609643  -2.01654034
 H    0.44153440  -2.92022545   1.40003054
 H    0.93034169  -1.26493732   1.85949583
 H    2.03644592  -2.29527561   0.90527195
 H    2.10969024   2.63692502   0.15154237
 H    0.79869835   2.86064854   1.33732306
 H    1.94184954   1.51557924   1.53440044
 23
 Energy -581.4430710125  Point 296  Step 10.427
 N    0.46036685   1.26788904   0.03398225
 C    0.99923578   0.35281903  -0.96749888
 C   -0.95589268   1.55814711  -0.04280570
 C    1.37039977   2.10674138   0.77418723
 Si   0.21156665  -1.34129228  -0.54235564
 C   -1.63300268  -0.89851330  -0.32368901
 C   -1.82592260   0.40055353   0.48803146
 C    0.98057387  -2.02029096   1.05706024
 H    0.35811660  -2.36628713  -1.64372265
 H   -2.18514876  -1.73639915   0.13745555
 H   -2.05938373  -0.76566484  -1.33714042
 H   -1.55551732   0.23038260   1.54544743
 H   -2.88957304   0.70796583   0.46863002
 H   -1.15900095   2.46429172   0.55296616
 H   -1.26661061   1.79044826  -1.09000492
 H    2.09696485   0.30627503  -0.86602505
 H    0.78733326   0.68557297  -2.01094048
 H    0.44204511  -2.91936082   1.39936505
 H    0.93192971  -1.26365632   1.85696060
 H    2.03700667  -2.29579011   0.90308446
 H    2.08538408   2.66399519   0.12845017
 H    0.79810539   2.85416956   1.34680922
 H    1.97180983   1.53135108   1.50794451
 23
 Energy -581.4434500221  Point 297  Step 10.407
 N    0.46055151   1.25706908   0.04776931
 C    0.99999464   0.35274886  -0.96425124
 C   -0.95406962   1.55710840  -0.04098064
 C    1.37172502   2.11537860   0.76554710
 Si   0.21092287  -1.34108709  -0.54310852
 C   -1.63380782  -0.89849349  -0.32533409
 C   -1.82915268   0.40134321   0.48449233
 C    0.98131370  -2.02023841   1.05549517
 H    0.35717126  -2.36559008  -1.64503248
 H   -2.18542609  -1.73638751   0.13657136
 H   -2.05953464  -0.76766830  -1.33928753
 H   -1.56383901   0.23125926   1.54315353
 H   -2.89228241   0.70999929   0.45965239
 H   -1.15699294   2.46258766   0.55577334
 H   -1.25708355   1.79298361  -1.08957255
 H    2.09750170   0.30340038  -0.86134296
 H    0.78939154   0.69480090  -2.00483687
 H    0.44263221  -2.91899630   1.39877287
 H    0.93330221  -1.26260466   1.85435191
 H    2.03737574  -2.29646628   0.90057037
 H    2.05938899   2.69061733   0.10564359
 H    0.79850935   2.84697214   1.35720123
 H    2.00142915   1.54704564   1.47998567
 23
 Energy -581.4438591732  Point 298  Step 10.386
 N    0.46093111   1.24673849   0.06137118
 C    1.00075741   0.35262619  -0.96068813
 C   -0.95212234   1.55604448  -0.03893123
 C    1.37280914   2.12394224   0.75678908
 Si   0.21023243  -1.34093015  -0.54383670
 C   -1.63463111  -0.89851364  -0.32707789
 C   -1.83228810   0.40205313   0.48093382
 C    0.98196736  -2.02041429   1.05386567
 H    0.35648229  -2.36464098  -1.64649485
 H   -2.18591799  -1.73618293   0.13557336
 H   -2.05964360  -0.76964858  -1.34155960
 H   -1.57221436   0.23202008   1.54077743
 H   -2.89478719   0.71226021   0.45060255
 H   -1.15497522   2.46083909   0.55882979
 H   -1.24751142   1.79580199  -1.08891256
 H    2.09806543   0.30062863  -0.85654519
 H    0.79121617   0.70380042  -1.99851422
 H    0.44350380  -2.91865990   1.39848126
 H    0.93508412  -1.26157849   1.85163354
 H    2.03779031  -2.29698255   0.89779419
 H    2.03202216   2.71700582   0.08302789
 H    0.79985018   2.83946126   1.36803749
 H    2.03071373   1.56298386   1.45022948
 23
 Energy -581.444312761  Point 299  Step 10.364
 N    0.46152115   1.23692285   0.07480385
 C    1.00147259   0.35249907  -0.95682497
 C   -0.95005089   1.55495855  -0.03666622
 C    1.37362714   2.13252623   0.74785762
 Si   0.20952710  -1.34085109  -0.54453013
 C   -1.63548229  -0.89857198  -0.32892326
 C   -1.83532113   0.40271282   0.47732886
 C    0.98260658  -2.02074752   1.05220812
 H    0.35591691  -2.36339022  -1.64827046
 H   -2.18678000  -1.73596958   0.13429460
 H   -2.05960631  -0.77149351  -1.34397779
 H   -1.58075618   0.23248753   1.53842507
 H   -2.89708660   0.71461291   0.44141769
 H   -1.15299188   2.45893141   0.56222197
 H   -1.23747533   1.79831052  -1.08791162
 H    2.09866384   0.29800660  -0.85204206
 H    0.79272406   0.71239785  -1.99168785
 H    0.44421318  -2.91857775   1.39814343
 H    0.93661333  -1.26077798   1.84885706
 H    2.03810135  -2.29788656   0.89496676
 H    2.00310202   2.74272898   0.06078501
 H    0.80268125   2.83175793   1.37940836
 H    2.05952731   1.57914015   1.41909035
 23
 Energy -581.4447887385  Point 300  Step 10.341
 N    0.46231001   1.22766331   0.08802827
 C    1.00217954   0.35234069  -0.95267703
 C   -0.94782039   1.55380939  -0.03414992
 C    1.37417544   2.14111426   0.73881926
 Si   0.20878858  -1.34083449  -0.54521032
 C   -1.63637046  -0.89868455  -0.33086229
 C   -1.83824080   0.40327771   0.47372071
 C    0.98319333  -2.02128846   1.05051610
 H    0.35565730  -2.36195612  -1.65014533
 H   -2.18797852  -1.73563156   0.13271056
 H   -2.05942141  -0.77319396  -1.34654677
 H   -1.58934922   0.23271714   1.53599804
 H   -2.89916248   0.71717103   0.43218712
 H   -1.15096374   2.45692853   0.56592372
 H   -1.22740889   1.80096183  -1.08664546
 H    2.09918376   0.29509603  -0.84713322
 H    0.79424558   0.72088821  -1.98471223
 H    0.44478847  -2.91872623   1.39709058
 H    0.93792751  -1.26037071   1.84627163
 H    2.03850049  -2.29897041   0.89236677
 H    1.97289408   2.76795822   0.03877257
 H    0.80663121   2.82409197   1.39096476
 H    2.08776483   1.59582625   1.38635316
 23
 Energy -581.4452732415  Point 301  Step 10.318
 N    0.46329810   1.21899346   0.10096633
 C    1.00294223   0.35212701  -0.94823099
 C   -0.94545735   1.55259804  -0.03137113
 C    1.37445965   2.14977377   0.72962206
 Si   0.20801057  -1.34089897  -0.54584829
 C   -1.63729752  -0.89882024  -0.33295220
 C   -1.84105261   0.40377488   0.47011482
 C    0.98367746  -2.02206717   1.04879426
 H    0.35567375  -2.36027310  -1.65225291
 H   -2.18942358  -1.73538083   0.13078541
 H   -2.05897979  -0.77470091  -1.34934926
 H   -1.59816821   0.23265161   1.53363952
 H   -2.90106563   0.71964791   0.42278553
 H   -1.14884092   2.45481272   0.56995516
 H   -1.21727414   1.80362625  -1.08485796
 H    2.09976735   0.29194939  -0.84185633
 H    0.79589937   0.72898011  -1.97729965
 H    0.44551812  -2.91937771   1.39633014
 H    0.93920801  -1.26025624   1.84362899
 H    2.03871375  -2.29998709   0.88946292
 H    1.94119486   2.79268691   0.01740196
 H    0.81182156   2.81641202   1.40260174
 H    2.11536286   1.61303933   1.35235807
 23
 Energy -581.4457700054  Point 302  Step 10.293
 N    0.46450932   1.21096984   0.11359837
 C    1.00374930   0.35180486  -0.94338701
 C   -0.94299275   1.55135664  -0.02829321
 C    1.37449946   2.15850830   0.72029574
 Si   0.20720046  -1.34107434  -0.54644819
 C   -1.63824065  -0.89896779  -0.33521788
 C   -1.84374923   0.40416706   0.46652736
 C    0.98404147  -2.02312961   1.04704801
 H    0.35567008  -2.35819895  -1.65472345
 H   -2.19090507  -1.73514496   0.12850470
 H   -2.05841635  -0.77599531  -1.35235872
 H   -1.60723587   0.23228529   1.53127155
 H   -2.90278372   0.72215397   0.41324280
 H   -1.14684000   2.45251459   0.57446186
 H   -1.20713896   1.80633590  -1.08281619
 H    2.10042149   0.28892927  -0.83655608
 H    0.79752325   0.73656467  -1.96970958
 H    0.44637561  -2.92017788   1.39566939
 H    0.94046285  -1.26032110   1.84096148
 H    2.03889124  -2.30110562   0.88631071
 H    1.90836282   2.81690081  -0.00354830
 H    0.81825018   2.80896936   1.41420848
 H    2.14208560   1.63080083   1.31688220
 23
 Energy -581.4462634259  Point 303  Step 10.268
 N    0.46594784   1.20360175   0.12591356
 C    1.00459845   0.35140495  -0.93821800
 C   -0.94042561   1.55009104  -0.02490913
 C    1.37428035   2.16740078   0.71082340
 Si   0.20634941  -1.34135720  -0.54702615
 C   -1.63919620  -0.89912632  -0.33764695
 C   -1.84632886   0.40442724   0.46294027
 C    0.98430221  -2.02447083   1.04528122
 H    0.35568838  -2.35636422  -1.65780957
 H   -2.19259476  -1.73494139   0.12588934
 H   -2.05774252  -0.77715486  -1.35552451
 H   -1.61634415   0.23155242   1.52892342
 H   -2.90424102   0.72483968   0.40371535
 H   -1.14485362   2.44998610   0.57953438
 H   -1.19697599   1.80915101  -1.08022822
 H    2.10111689   0.28579598  -0.83081078
 H    0.79931548   0.74356539  -1.96185327
 H    0.44716499  -2.92141503   1.39508770
 H    0.94165393  -1.26069775   1.83821962
 H    2.03898726  -2.30238482   0.88325139
 H    1.87437500   2.84043118  -0.02379432
 H    0.82592368   2.80190176   1.42557413
 H    2.16789394   1.64916972   1.28029144
 23
 Energy -581.4467487435  Point 304  Step 10.241
 N    0.46759073   1.19692222   0.13791373
 C    1.00552042   0.35091494  -0.93270395
 C   -0.93773614   1.54877485  -0.02115478
 C    1.37382850   2.17647863   0.70119419
 Si   0.20545576  -1.34178030  -0.54759763
 C   -1.64018480  -0.89932826  -0.34027079
 C   -1.84876943   0.40456348   0.45935723
 C    0.98443131  -2.02612635   1.04351244
 H    0.35596393  -2.35411047  -1.66071897
 H   -2.19448040  -1.73473278   0.12286521
 H   -2.05696243  -0.77808494  -1.35895435
 H   -1.62554230   0.23044623   1.52649796
 H   -2.90548721   0.72751236   0.39415603
 H   -1.14287408   2.44720857   0.58523715
 H   -1.18691682   1.81223839  -1.07713814
 H    2.10185750   0.28253275  -0.82474057
 H    0.80117727   0.75007507  -1.95382288
 H    0.44789032  -2.92289158   1.39442456
 H    0.94274969  -1.26142269   1.83558032
 H    2.03894179  -2.30396642   0.88004272
 H    1.83963751   2.86317239  -0.04356561
 H    0.83472180   2.79561122   1.43633629
 H    2.19243546   1.66831748   1.24277036
 23
 Energy -581.4472209732  Point 305  Step 10.213
 N    0.46948211   1.19093966   0.14954595
 C    1.00646792   0.35031242  -0.92684508
 C   -0.93496134   1.54744629  -0.01701018
 C    1.37314351   2.18583028   0.69137763
 Si   0.20453394  -1.34237248  -0.54815558
 C   -1.64118646  -0.89956995  -0.34313005
 C   -1.85104369   0.40452275   0.45581538
 C    0.98439431  -2.02809459   1.04173685
 H    0.35655847  -2.35106851  -1.66331864
 H   -2.19666295  -1.73455661   0.11936833
 H   -2.05598975  -0.77875871  -1.36264955
 H   -1.63473516   0.22886017   1.52410504
 H   -2.90645746   0.73022907   0.38466718
 H   -1.14082863   2.44414479   0.59172258
 H   -1.17708204   1.81565286  -1.07341406
 H    2.10264192   0.27912268  -0.81847628
 H    0.80312282   0.75592843  -1.94557491
 H    0.44840059  -2.92474321   1.39382363
 H    0.94373644  -1.26250680   1.83295063
 H    2.03868191  -2.30590674   0.87676985
 H    1.80427917   2.88501187  -0.06273802
 H    0.84441507   2.79015295   1.44620378
 H    2.21571849   1.68837416   1.20463979
 23
 Energy -581.4476790804  Point 306  Step 10.183
 N    0.47162553   1.18574917   0.16078694
 C    1.00748171   0.34957777  -0.92062542
 C   -0.93211656   1.54605696  -0.01242366
 C    1.37224055   2.19550529   0.68135547
 Si   0.20358422  -1.34310886  -0.54867537
 C   -1.64221757  -0.89983612  -0.34625646
 C   -1.85313143   0.40427037   0.45235280
 C    0.98410894  -2.03046151   1.03997420
 H    0.35755296  -2.34813047  -1.66662945
 H   -2.19916080  -1.73438530   0.11518358
 H   -2.05449113  -0.77911855  -1.36678028
 H   -1.64390690   0.22671612   1.52169469
 H   -2.90716282   0.73287665   0.37530561
 H   -1.13887839   2.44070692   0.59906898
 H   -1.16744535   1.81939482  -1.06909298
 H    2.10347242   0.27555342  -0.81184708
 H    0.80525331   0.76122154  -1.93720229
 H    0.44876835  -2.92699529   1.39308739
 H    0.94454839  -1.26406986   1.83047015
 H    2.03824175  -2.30808409   0.87349463
 H    1.76875434   2.90596915  -0.08137408
 H    0.85479832   2.78593183   1.45492511
 H    2.23747755   1.70940179   1.16622714
 23
 Energy -581.4481120036  Point 307  Step 10.152
 N    0.47397074   1.18131517   0.17165492
 C    1.00855072   0.34877383  -0.91406500
 C   -0.92920941   1.54468049  -0.00742895
 C    1.37114830   2.20550801   0.67113241
 Si   0.20260111  -1.34400958  -0.54917725
 C   -1.64321040  -0.90013012  -0.34969359
 C   -1.85500139   0.40377732   0.44902087
 C    0.98358704  -2.03323498   1.03824024
 H    0.35891940  -2.34505870  -1.67027103
 H   -2.20195566  -1.73425648   0.11032591
 H   -2.05305192  -0.77890758  -1.37112223
 H   -1.65292042   0.22397717   1.51934545
 H   -2.90758096   0.73539201   0.36621351
 H   -1.13703752   2.43710943   0.60696434
 H   -1.15821920   1.82324145  -1.06411039
 H    2.10435065   0.27183316  -0.80483045
 H    0.80763406   0.76587741  -1.92868399
 H    0.44900254  -2.92984135   1.39232553
 H    0.94515921  -1.26614941   1.82806538
 H    2.03755182  -2.31054173   0.87006778
 H    1.73312183   2.92594679  -0.09947934
 H    0.86596830   2.78312284   1.46241212
 H    2.25765083   1.73117313   1.12771815
 23
 Energy -581.4485298572  Point 308  Step 10.120
 N    0.47651654   1.17760984   0.18216023
 C    1.00969966   0.34790007  -0.90716946
 C   -0.92630044   1.54331806  -0.00200370
 C    1.36986908   2.21589550   0.66071734
 Si   0.20162539  -1.34506297  -0.54966023
 C   -1.64419141  -0.90042855  -0.35345391
 C   -1.85662381   0.40300803   0.44584585
 C    0.98276460  -2.03645696   1.03650240
 H    0.36045137  -2.34175315  -1.67404498
 H   -2.20495202  -1.73415561   0.10477558
 H   -2.05138105  -0.77829988  -1.37580736
 H   -1.66164836   0.22063455   1.51702227
 H   -2.90771052   0.73771518   0.35750619
 H   -1.13528111   2.43335775   0.61548675
 H   -1.14942036   1.82727224  -1.05857749
 H    2.10528527   0.26804085  -0.79741258
 H    0.81022324   0.76987148  -1.92014926
 H    0.44889461  -2.93300071   1.39158353
 H    0.94559894  -1.26872670   1.82578158
 H    2.03655583  -2.31349876   0.86663623
 H    1.69799742   2.94449891  -0.11745912
 H    0.87738706   2.78201076   1.46828252
 H    2.27611509   1.75377832   1.08943149
 23
 Energy -581.4489122661  Point 309  Step 10.087
 N    0.47920656   1.17471011   0.19238006
 C    1.01091631   0.34696582  -0.89993277
 C   -0.92341932   1.54189892   0.00378627
 C    1.36843979   2.22667469   0.65000403
 Si   0.20067741  -1.34623090  -0.55014084
 C   -1.64513841  -0.90072106  -0.35753029
 C   -1.85797202   0.40197054   0.44286506
 C    0.98160652  -2.04019771   1.03479258
 H    0.36232905  -2.33821123  -1.67812329
 H   -2.20829698  -1.73413727   0.09832061
 H   -2.04914748  -0.77721699  -1.38094452
 H   -1.66989270   0.21658407   1.51474852
 H   -2.90754093   0.73981372   0.34939916
 H   -1.13388970   2.42915251   0.62484151
 H   -1.14100492   1.83154745  -1.05245420
 H    2.10629748   0.26423624  -0.78966360
 H    0.81294766   0.77323448  -1.91147344
 H    0.44815468  -2.93668080   1.39059580
 H    0.94574877  -1.27210643   1.82374711
 H    2.03519824  -2.31715960   0.86342814
 H    1.66390434   2.96156270  -0.13539157
 H    0.88903564   2.78299563   1.47219401
 H    2.29265760   1.77699058   1.05210717
 23
 Energy -581.4492741214  Point 310  Step 10.052
 N    0.48203088   1.17260104   0.20223820
 C    1.01218109   0.34602992  -0.89238093
 C   -0.92057873   1.54043371   0.00998876
 C    1.36690483   2.23776174   0.63902800
 Si   0.19976701  -1.34751170  -0.55063054
 C   -1.64599215  -0.90101203  -0.36192221
 C   -1.85902432   0.40062163   0.44013197
 C    0.98009106  -2.04449905   1.03312684
 H    0.36467965  -2.33439335  -1.68237163
 H   -2.21182084  -1.73412344   0.09102303
 H   -2.04660267  -0.77521381  -1.38634837
 H   -1.67801538   0.21194597   1.51266182
 H   -2.90688450   0.74194199   0.34138867
 H   -1.13286209   2.42454617   0.63492327
 H   -1.13346687   1.83602692  -1.04568644
 H    2.10733594   0.26047227  -0.78156715
 H    0.81580085   0.77607624  -1.90275752
 H    0.44693203  -2.94090331   1.38936230
 H    0.94551807  -1.27617827   1.82193736
 H    2.03346163  -2.32152120   0.86032753
 H    1.63097730   2.97721174  -0.15327981
 H    0.90040640   2.78627806   1.47394102
 H    2.30730270   1.80072931   1.01607577
 23
 Energy -581.4496173919  Point 311  Step 10.016
 N    0.48497688   1.17125067   0.21172027
 C    1.01353440   0.34509272  -0.88452800
 C   -0.91786697   1.53900146   0.01654169
 C    1.36522351   2.24921187   0.62780417
 Si   0.19892225  -1.34888101  -0.55109871
 C   -1.64675680  -0.90127672  -0.36667628
 C   -1.85975979   0.39895058   0.43768041
 C    0.97813670  -2.04936837   1.03147587
 H    0.36765714  -2.33034250  -1.68680704
 H   -2.21563374  -1.73419568   0.08278512
 H   -2.04373711  -0.77260524  -1.39216203
 H   -1.68503553   0.20644921   1.51055744
 H   -2.90626159   0.74327837   0.33497534
 H   -1.13189487   2.41992796   0.64544824
 H   -1.12629690   1.84054320  -1.03844006
 H    2.10845528   0.25667475  -0.77308188
 H    0.81895151   0.77838735  -1.89397944
 H    0.44501387  -2.94574646   1.38778854
 H    0.94479038  -1.28108458   1.82037303
 H    2.03127766  -2.32651394   0.85743419
 H    1.59971731   2.99119598  -0.17144145
 H    0.91100623   2.79181462   1.47336953
 H    2.32011128   1.82491560   0.98170838
 23
 Energy -581.4499607428  Point 312  Step 9.981
 N    0.48803441   1.17077603   0.22065909
 C    1.01481415   0.34407722  -0.87635616
 C   -0.91524015   1.53763317   0.02324180
 C    1.36347671   2.26090000   0.61626469
 Si   0.19815532  -1.35018535  -0.55152572
 C   -1.64812087  -0.90131141  -0.37244861
 C   -1.85955590   0.39623444   0.43626928
 C    0.97567017  -2.05464516   1.02990935
 H    0.37172649  -2.32570149  -1.69120438
 H   -2.21930948  -1.73453389   0.07333781
 H   -2.04128735  -0.76898567  -1.39844242
 H   -1.68921830   0.19961141   1.50941288
 H   -2.90544609   0.74386901   0.33193787
 H   -1.13131121   2.41527500   0.65609805
 H   -1.11999376   1.84464840  -1.03101650
 H    2.10953453   0.25306614  -0.76435128
 H    0.82204861   0.77982099  -1.88531081
 H    0.44274428  -2.95092125   1.38644656
 H    0.94366826  -1.28637450   1.81891269
 H    2.02871934  -2.33176002   0.85483660
 H    1.57061402   3.00387546  -0.18965078
 H    0.92090186   2.79952542   1.47060263
 H    2.33109148   1.84901001   0.94915639
 23
 Energy -581.4502238108  Point 313  Step 9.946
 N    0.49104300   1.17099398   0.22921136
 C    1.01639169   0.34324466  -0.86811847
 C   -0.91296040   1.53603804   0.03029533
 C    1.36160758   2.27278588   0.60467167
 Si   0.19741424  -1.35157145  -0.55207031
 C   -1.64858456  -0.90149076  -0.37808915
 C   -1.85922181   0.39362930   0.43499461
 C    0.97255753  -2.06036979   1.02853570
 H    0.37583463  -2.32118279  -1.69599457
 H   -2.22387266  -1.73467739   0.06249221
 H   -2.03790971  -0.76412030  -1.40527428
 H   -1.69235114   0.19147191   1.50739437
 H   -2.90350154   0.74371491   0.32944391
 H   -1.13130682   2.41026389   0.66714413
 H   -1.11488354   1.84868614  -1.02298084
 H    2.11082326   0.24951476  -0.75509437
 H    0.82579775   0.78115950  -1.87662757
 H    0.43910555  -2.95670744   1.38418672
 H    0.94173640  -1.29269496   1.81819612
 H    2.02530528  -2.33787134   0.85238361
 H    1.54327680   3.01496931  -0.20808427
 H    0.92983535   2.80919249   1.46596210
 H    2.34037789   1.87299097   0.91865060
 23
 Energy -581.4505028551  Point 314  Step 9.908
 N    0.49394583   1.17165346   0.23757095
 C    1.01824808   0.34258577  -0.85976420
 C   -0.91091740   1.53457995   0.03750909
 C    1.35942591   2.28477786   0.59301373
 Si   0.19692631  -1.35303743  -0.55272759
 C   -1.64825611  -0.90164381  -0.38338218
 C   -1.85895734   0.39114027   0.43359222
 C    0.96880260  -2.06684281   1.02713709
 H    0.37986020  -2.31657721  -1.70089120
 H   -2.22803318  -1.73464678   0.05154912
 H   -2.03309184  -0.75910638  -1.41163664
 H   -1.69617835   0.18378189   1.50560487
 H   -2.90219300   0.74332230   0.32615773
 H   -1.13147803   2.40527237   0.67848824
 H   -1.11022090   1.85306772  -1.01466747
 H    2.11231207   0.24615800  -0.74501355
 H    0.83043997   0.78266968  -1.86806093
 H    0.43412441  -2.96321155   1.38073317
 H    0.93876826  -1.30045616   1.81812269
 H    2.02129235  -2.34515422   0.85069688
 H    1.51772508   3.02441996  -0.22698909
 H    0.93739907   2.82086299   1.45938228
 H    2.34800912   1.89693583   0.89032516
 23
 Energy -581.450762653  Point 315  Step 9.871
 N    0.49678507   1.17294462   0.24546070
 C    1.02006689   0.34193568  -0.85115819
 C   -0.90897466   1.53328127   0.04470671
 C    1.35709272   2.29678353   0.58113783
 Si   0.19676601  -1.35436259  -0.55334441
 C   -1.64829579  -0.90152968  -0.38916472
 C   -1.85814436   0.38801849   0.43295650
 C    0.96455839  -2.07394933   1.02569433
 H    0.38463961  -2.31143651  -1.70588527
 H   -2.23144539  -1.73496692   0.04032304
 H   -2.02883360  -0.75362370  -1.41818359
 H   -1.69895287   0.17578218   1.50460771
 H   -2.90051545   0.74255379   0.32442630
 H   -1.13190475   2.40028394   0.68989672
 H   -1.10630412   1.85722703  -1.00632493
 H    2.11384091   0.24327292  -0.73493576
 H    0.83502987   0.78339257  -1.85956330
 H    0.42852083  -2.97034068   1.37709196
 H    0.93492721  -1.30901632   1.81813937
 H    2.01696424  -2.35294799   0.84981241
 H    1.49443721   3.03238073  -0.24625037
 H    0.94360693   2.83418969   1.45082917
 H    2.35407564   1.92025217   0.86423620
 23
 Energy -581.4510013519  Point 316  Step 9.835
 N    0.49953691   1.17479718   0.25291149
 C    1.02197567   0.34144686  -0.84253068
 C   -0.90730996   1.53190089   0.05196688
 C    1.35466432   2.30871974   0.56923932
 Si   0.19677107  -1.35558351  -0.55396311
 C   -1.64803992  -0.90139594  -0.39510197
 C   -1.85696880   0.38470785   0.43276231
 C    0.95977562  -2.08150580   1.02437468
 H    0.38996365  -2.30597877  -1.71097734
 H   -2.23514713  -1.73520830   0.02816935
 H   -2.02414127  -0.74727657  -1.42487446
 H   -1.69994309   0.16675497   1.50358033
 H   -2.89862514   0.74111088   0.32449218
 H   -1.13266761   2.39530757   0.70115785
 H   -1.10333959   1.86104782  -0.99786036
 H    2.11545923   0.24072689  -0.72491232
 H    0.83946131   0.78366921  -1.85126958
 H    0.42207101  -2.97813171   1.37250642
 H    0.93020550  -1.31854000   1.81875901
 H    2.01209668  -2.36124776   0.84918530
 H    1.47297117   3.03909823  -0.26571006
 H    0.94865790   2.84884994   1.44081134
 H    2.35897190   1.94303711   0.84011570
 23
 Energy -581.4512388935  Point 317  Step 9.799
 N    0.50219766   1.17706648   0.25994001
 C    1.02398688   0.34110958  -0.83399228
 C   -0.90585324   1.53053637   0.05914950
 C    1.35204454   2.32055296   0.55739982
 Si   0.19702303  -1.35666204  -0.55461607
 C   -1.64761286  -0.90110524  -0.40116676
 C   -1.85538855   0.38099645   0.43308745
 C    0.95435480  -2.08944411   1.02311378
 H    0.39599338  -2.30037171  -1.71591596
 H   -2.23842836  -1.73545575   0.01572432
 H   -2.01930020  -0.74019691  -1.43141412
 H   -1.69974555   0.15741283   1.50299673
 H   -2.89661756   0.73907596   0.32597848
 H   -1.13375754   2.39039258   0.71222176
 H   -1.10103374   1.86452639  -0.98944941
 H    2.11717428   0.23860581  -0.71473749
 H    0.84411903   0.78388835  -1.84317692
 H    0.41445710  -2.98626772   1.36734830
 H    0.92498150  -1.32893278   1.81986159
 H    2.00644403  -2.37086903   0.84910775
 H    1.45316774   3.04479939  -0.28514582
 H    0.95237832   2.86444198   1.42956625
 H    2.36273613   1.96531547   0.81789837
 23
 Energy -581.451451722  Point 318  Step 9.765
 N    0.50474636   1.17976300   0.26650830
 C    1.02618153   0.34089290  -0.82550024
 C   -0.90462575   1.52911964   0.06621605
 C    1.34922484   2.33228816   0.54564973
 Si   0.19744280  -1.35760840  -0.55531929
 C   -1.64692420  -0.90071251  -0.40725411
 C   -1.85345049   0.37708332   0.43389067
 C    0.94839667  -2.09787217   1.02195215
 H    0.40232560  -2.29452548  -1.72093057
 H   -2.24146282  -1.73575200   0.00286912
 H   -2.01451337  -0.73256068  -1.43784626
 H   -1.69810578   0.14750561   1.50258004
 H   -2.89437315   0.73640169   0.32887388
 H   -1.13491104   2.38558347   0.72293138
 H   -1.09953275   1.86752980  -0.98119249
 H    2.11905720   0.23681612  -0.70436523
 H    0.84916854   0.78390094  -1.83529150
 H    0.40571891  -2.99456347   1.36203328
 H    0.91900529  -1.33987314   1.82115534
 H    2.00038039  -2.38050440   0.84941778
 H    1.43491874   3.04961868  -0.30453413
 H    0.95480582   2.88067387   1.41743462
 H    2.36549160   1.98701688   0.79747385
 23
 Energy -581.4516516085  Point 319  Step 9.731
 N    0.50721427   1.18277796   0.27272315
 C    1.02851582   0.34076985  -0.81702415
 C   -0.90354338   1.52771234   0.07309372
 C    1.34621975   2.34387953   0.53400825
 Si   0.19801343  -1.35845527  -0.55601682
 C   -1.64606685  -0.90021083  -0.41333106
 C   -1.85121697   0.37295513   0.43505590
 C    0.94199449  -2.10656156   1.02082208
 H    0.40867511  -2.28832994  -1.72606088
 H   -2.24425832  -1.73603275  -0.01027817
 H   -2.00908451  -0.72470896  -1.44425389
 H   -1.69546719   0.13741378   1.50244407
 H   -2.89209427   0.73328103   0.33279693
 H   -1.13629591   2.38095851   0.73317559
 H   -1.09858264   1.87004048  -0.97314957
 H    2.12109252   0.23535028  -0.69395206
 H    0.85414203   0.78362104  -1.82756396
 H    0.39686477  -3.00366958   1.35582703
 H    0.91169249  -1.35153929   1.82285814
 H    1.99410483  -2.39000247   0.85039673
 H    1.41786419   3.05368798  -0.32375838
 H    0.95621743   2.89746633   1.40447518
 H    2.36746129   2.00830141   0.77848398
 23
 Energy -581.4518421393  Point 320  Step 9.698
 N    0.50956866   1.18605493   0.27859851
 C    1.03092628   0.34075599  -0.80862631
 C   -0.90262361   1.52628377   0.07983487
 C    1.34306979   2.35530140   0.52247807
 Si   0.19880880  -1.35915347  -0.55674239
 C   -1.64499455  -0.89967013  -0.41933550
 C   -1.84876129   0.36869568   0.43654887
 C    0.93512999  -2.11548562   1.01969826
 H    0.41556655  -2.28214447  -1.73098432
 H   -2.24671268  -1.73632954  -0.02336341
 H   -2.00422987  -0.71634768  -1.45025743
 H   -1.69199967   0.12710600   1.50244692
 H   -2.88964558   0.72967430   0.33760015
 H   -1.13791391   2.37644456   0.74303941
 H   -1.09814598   1.87214343  -0.96531536
 H    2.12322832   0.23421808  -0.68354064
 H    0.85963186   0.78331506  -1.82004764
 H    0.38731256  -3.01319048   1.34859701
 H    0.90333486  -1.36412846   1.82514875
 H    1.98739504  -2.39986039   0.85197026
 H    1.40186652   3.05721261  -0.34282035
 H    0.95659320   2.91433645   1.39106634
 H    2.36878127   2.02904235   0.76062032
 23
 Energy -581.4520220361  Point 321  Step 9.666
 N    0.51178602   1.18960222   0.28411114
 C    1.03348104   0.34087478  -0.80031693
 C   -0.90187620   1.52484586   0.08636853
 C    1.33976041   2.36650002   0.51109683
 Si   0.19979343  -1.35967807  -0.55747558
 C   -1.64376347  -0.89906862  -0.42524513
 C   -1.84604620   0.36426188   0.43834747
 C    0.92781467  -2.12467722   1.01854944
 H    0.42279749  -2.27590404  -1.73567573
 H   -2.24862770  -1.73669604  -0.03622910
 H   -1.99934765  -0.70797332  -1.45594143
 H   -1.68759522   0.11668792   1.50268635
 H   -2.88718322   0.72566000   0.34327854
 H   -1.13970815   2.37208789   0.75242680
 H   -1.09824316   1.87384864  -0.95770820
 H    2.12543215   0.23314820  -0.67275623
 H    0.86556394   0.78294394  -1.81272871
 H    0.37704965  -3.02309765   1.34065632
 H    0.89394439  -1.37753775   1.82784361
 H    1.98040377  -2.40979647   0.85406851
 H    1.38684506   3.06004510  -0.36163258
 H    0.95628933   2.93162350   1.37704943
 H    2.36942591   2.04924403   0.74407272
 23
 Energy -581.4521846999  Point 322  Step 9.635
 N    0.51394315   1.19330335   0.28938205
 C    1.03607381   0.34116992  -0.79217037
 C   -0.90124173   1.52339603   0.09274995
 C    1.33629859   2.37751552   0.49986235
 Si   0.20096059  -1.36006845  -0.55822624
 C   -1.64230826  -0.89846299  -0.43101215
 C   -1.84313964   0.35971855   0.44038140
 C    0.92006774  -2.13405891   1.01745020
 H    0.43039480  -2.26946989  -1.74036560
 H   -2.25036796  -1.73705118  -0.04913258
 H   -1.99428222  -0.69947744  -1.46146675
 H   -1.68251349   0.10615062   1.50299441
 H   -2.88454311   0.72120995   0.34963209
 H   -1.14164023   2.36782943   0.76148859
 H   -1.09870639   1.87522809  -0.95032297
 H    2.12769472   0.23237351  -0.66217794
 H    0.87137887   0.78255106  -1.80562798
 H    0.36636915  -3.03336338   1.33192970
 H    0.88348662  -1.39144014   1.83081292
 H    1.97302527  -2.41981170   0.85676531
 H    1.37271552   3.06227437  -0.38032559
 H    0.95513735   2.94902785   1.36267604
 H    2.36953260   2.06891117   0.72853781
 23
 Energy -581.4523419656  Point 323  Step 9.605
 N    0.51595904   1.19719506   0.29427822
 C    1.03887824   0.34148735  -0.78407165
 C   -0.90072949   1.52194218   0.09893149
 C    1.33266559   2.38832009   0.48878574
 Si   0.20227702  -1.36031220  -0.55897060
 C   -1.64073585  -0.89778964  -0.43668857
 C   -1.84004462   0.35508187   0.44265568
 C    0.91199428  -2.14362225   1.01637171
 H    0.43812941  -2.26284008  -1.74497079
 H   -2.25175776  -1.73737459  -0.06189984
 H   -1.98923693  -0.69080414  -1.46665724
 H   -1.67669029   0.09562732   1.50349623
 H   -2.88197783   0.71638626   0.35679088
 H   -1.14362427   2.36370159   0.77018853
 H   -1.09956390   1.87627029  -0.94314834
 H    2.13014412   0.23183955  -0.65150421
 H    0.87749542   0.78198308  -1.79866207
 H    0.35533122  -3.04403451   1.32247434
 H    0.87206454  -1.40595416   1.83405971
 H    1.96547880  -2.42980941   0.85984619
 H    1.35902018   3.06434928  -0.39851711
 H    0.95330681   2.96601083   1.34823827
 H    2.36922355   2.08828073   0.71360192
 23
 Energy -581.4524806995  Point 324  Step 9.575
 N    0.51779649   1.20133343   0.29884451
 C    1.04192693   0.34183313  -0.77589716
 C   -0.90036657   1.52049131   0.10468421
 C    1.32890126   2.39893800   0.47787102
 Si   0.20370967  -1.36034940  -0.55962764
 C   -1.63907304  -0.89706044  -0.44208714
 C   -1.83686498   0.35043630   0.44511597
 C    0.90370832  -2.15360090   1.01511371
 H    0.44568467  -2.25614684  -1.74941753
 H   -2.25267612  -1.73784069  -0.07425000
 H   -1.98424677  -0.68222735  -1.47161595
 H   -1.67032329   0.08528976   1.50407168
 H   -2.87920162   0.71140930   0.36427410
 H   -1.14576459   2.35984302   0.77809314
 H   -1.10080978   1.87683029  -0.93654795
 H    2.13274312   0.23136595  -0.64008592
 H    0.88428035   0.78130987  -1.79175035
 H    0.34431456  -3.05537722   1.31203388
 H    0.85995358  -1.42145204   1.83758985
 H    1.95778715  -2.43984960   0.86313558
 H    1.34591512   3.06624195  -0.41631792
 H    0.95096724   2.98287969   1.33375498
 H    2.36850233   2.10710323   0.69932840
 23
 Energy -581.4526110456  Point 325  Step 9.546
 N    0.51962196   1.20560739   0.30322346
 C    1.04495185   0.34233655  -0.76777471
 C   -0.90006257   1.51911234   0.11022739
 C    1.32495764   2.40951783   0.46710948
 Si   0.20531416  -1.36045105  -0.56029391
 C   -1.63721161  -0.89634137  -0.44717797
 C   -1.83359031   0.34585952   0.44767567
 C    0.89512606  -2.16373428   1.01378590
 H    0.45377042  -2.24905225  -1.75401965
 H   -2.25335117  -1.73816582  -0.08616536
 H   -1.97919561  -0.67406480  -1.47607761
 H   -1.66393956   0.07526760   1.50481325
 H   -2.87649894   0.70631535   0.37159330
 H   -1.14798544   2.35624300   0.78553347
 H   -1.10223102   1.87708238  -0.93021504
 H    2.13534010   0.23091038  -0.62895549
 H    0.89119607   0.78034710  -1.78505193
 H    0.33269102  -3.06678944   1.30106214
 H    0.84714375  -1.43731431   1.84111054
 H    1.94986004  -2.45021133   0.86679602
 H    1.33311255   3.06806577  -0.43370628
 H    0.94808756   2.99950722   1.31926239
 H    2.36744081   2.12576060   0.68540828
 23
 Energy -581.4527283047  Point 326  Step 9.518
 N    0.52138482   1.21003152   0.30735066
 C    1.04803424   0.34282010  -0.75975646
 C   -0.89979225   1.51778080   0.11566684
 C    1.32082155   2.42000924   0.45650680
 Si   0.20705724  -1.36054557  -0.56096936
 C   -1.63521018  -0.89561761  -0.45214411
 C   -1.83013346   0.34127826   0.45034455
 C    0.88627923  -2.17393592   1.01243645
 H    0.46193215  -2.24224388  -1.75834009
 H   -2.25376186  -1.73848406  -0.09771270
 H   -1.97462181  -0.66549818  -1.48019658
 H   -1.65698305   0.06532275   1.50555504
 H   -2.87361026   0.70093356   0.37949742
 H   -1.15021641   2.35276423   0.79275653
 H   -1.10375827   1.87720468  -0.92404572
 H    2.13802271   0.23076390  -0.61798393
 H    0.89791603   0.77919444  -1.77850793
 H    0.32086003  -3.07826767   1.28973569
 H    0.83361759  -1.45342902   1.84462913
 H    1.94163142  -2.46069527   0.87078879
 H    1.32021244   3.06994824  -0.45064141
 H    0.94476048   3.01583934   1.30496547
 H    2.36608599   2.14432139   0.67178992
 23
 Energy -581.4528347516  Point 327  Step 9.490
 N    0.52302229   1.21458041   0.31126478
 C    1.05128704   0.34336084  -0.75169657
 C   -0.89960777   1.51644590   0.12074346
 C    1.31657022   2.43030116   0.44603876
 Si   0.20884793  -1.36045867  -0.56156680
 C   -1.63315705  -0.89485780  -0.45693056
 C   -1.82656255   0.33669930   0.45313629
 C    0.87731595  -2.18442363   1.01094542
 H    0.46996738  -2.23540929  -1.76243879
 H   -2.25382031  -1.73880155  -0.10892345
 H   -1.97008550  -0.65709316  -1.48396916
 H   -1.64951693   0.05558989   1.50639944
 H   -2.87074487   0.69540364   0.38784205
 H   -1.15268413   2.34946322   0.79928321
 H   -1.10551027   1.87691457  -0.91834972
 H    2.14080199   0.23069301  -0.60648079
 H    0.90523707   0.77807305  -1.77196285
 H    0.30923927  -3.09035244   1.27751885
 H    0.81928419  -1.47031056   1.84830127
 H    1.93355324  -2.47083049   0.87512279
 H    1.30771270   3.07153789  -0.46726503
 H    0.94108011   3.03195485   1.29060820
 H    2.36441360   2.16251351   0.65859782
 23
 Energy -581.4529257964  Point 328  Step 9.463
 N    0.52452216   1.21919216   0.31506261
 C    1.05462055   0.34390946  -0.74353821
 C   -0.89953168   1.51521695   0.12556599
 C    1.31221090   2.44040986   0.43562832
 Si   0.21074337  -1.36033326  -0.56210924
 C   -1.63098001  -0.89405519  -0.46148192
 C   -1.82297796   0.33222443   0.45594201
 C    0.86825967  -2.19502452   1.00934460
 H    0.47818371  -2.22819309  -1.76668059
 H   -2.25362209  -1.73910887  -0.11977522
 H   -1.96543405  -0.64886329  -1.48754956
 H   -1.64174833   0.04613825   1.50717807
 H   -2.86786037   0.68968489   0.39629841
 H   -1.15506193   2.34633970   0.80555255
 H   -1.10729130   1.87649753  -0.91297445
 H    2.14363774   0.23062228  -0.59489025
 H    0.91258074   0.77678519  -1.76536014
 H    0.29782674  -3.10283870   1.26437154
 H    0.80425562  -1.48786378   1.85214635
 H    1.92530222  -2.48085349   0.87933812
 H    1.29552599   3.07289958  -0.48371177
 H    0.93706383   3.04791108   1.27617441
 H    2.36248760   2.18033882   0.64575241
 23
 Energy -581.4530154709  Point 329  Step 9.435
 N    0.52594989   1.22392679   0.31862974
 C    1.05797513   0.34453416  -0.73548979
 C   -0.89948393   1.51410687   0.13022390
 C    1.30771242   2.45039952   0.42536691
 Si   0.21278315  -1.36008389  -0.56250686
 C   -1.62873950  -0.89328712  -0.46580142
 C   -1.81937552   0.32790248   0.45865713
 C    0.85912105  -2.20606034   1.00757263
 H    0.48645751  -2.22128768  -1.77035118
 H   -2.25304595  -1.73934416  -0.12971782
 H   -1.96141074  -0.64141227  -1.49076028
 H   -1.63417076   0.03711898   1.50796484
 H   -2.86497805   0.68413093   0.40448419
 H   -1.15750096   2.34346715   0.81146475
 H   -1.10920270   1.87613008  -0.90775155
 H    2.14652202   0.23092813  -0.58328028
 H    0.92001199   0.77538424  -1.75892255
 H    0.28655381  -3.11595701   1.25032709
 H    0.78868426  -1.50648220   1.85616690
 H    1.91713045  -2.49103199   0.88365348
 H    1.28339806   3.07423447  -0.49974042
 H    0.93274037   3.06350742   1.26189821
 H    2.36031371   2.19796602   0.63304285
 23
 Energy -581.4530849141  Point 330  Step 9.407
 N    0.52725893   1.22884863   0.32196225
 C    1.06143306   0.34521428  -0.72740754
 C   -0.89949896   1.51310446   0.13438992
 C    1.30310796   2.46031544   0.41530222
 Si   0.21488403  -1.35975391  -0.56271306
 C   -1.62647575  -0.89257753  -0.46974031
 C   -1.81574857   0.32376363   0.46134267
 C    0.85000567  -2.21755948   1.00553696
 H    0.49472528  -2.21391118  -1.77407260
 H   -2.25215008  -1.73968499  -0.13887131
 H   -1.95754575  -0.63440171  -1.49360702
 H   -1.62625393   0.02860590   1.50870404
 H   -2.86209070   0.67857361   0.41291601
 H   -1.16010495   2.34098059   0.81649482
 H   -1.11114703   1.87539497  -0.90320588
 H    2.14945356   0.23119611  -0.57148625
 H    0.92771304   0.77383004  -1.75254602
 H    0.27542438  -3.12958522   1.23532540
 H    0.77258536  -1.52609812   1.86014669
 H    1.90897847  -2.50147938   0.88793060
 H    1.27209893   3.07538394  -0.51551545
 H    0.92756316   3.07909422   1.24737236
 H    2.35779014   2.21543308   0.62150115
 23
 Energy -581.4531471704  Point 331  Step 9.379
 N    0.52836114   1.23395164   0.32515302
 C    1.06501196   0.34583380  -0.71900638
 C   -0.89963975   1.51225516   0.13803467
 C    1.29844028   2.47009197   0.40534946
 Si   0.21702182  -1.35943951  -0.56281779
 C   -1.62408338  -0.89182989  -0.47327039
 C   -1.81221331   0.31990032   0.46405154
 C    0.84105265  -2.22940570   1.00319449
 H    0.50244705  -2.20637647  -1.77787452
 H   -2.25124134  -1.73989513  -0.14771841
 H   -1.95334651  -0.62739734  -1.49607851
 H   -1.61856067   0.02087283   1.50959775
 H   -2.85930559   0.67304383   0.42063100
 H   -1.16288923   2.33906330   0.82045300
 H   -1.11304899   1.87412438  -0.89943395
 H    2.15242155   0.23136678  -0.55895365
 H    0.93595802   0.77203400  -1.74595099
 H    0.26497963  -3.14384730   1.21938987
 H    0.75590496  -1.54651202   1.86395499
 H    1.90114700  -2.51179217   0.89234707
 H    1.26138224   3.07621276  -0.53115701
 H    0.92202563   3.09470411   1.23267535
 H    2.35498455   2.23258408   0.61053944
 23
 Energy -581.4531999893  Point 332  Step 9.348
 N    0.52922114   1.23902961   0.32834062
 C    1.06853317   0.34642503  -0.71052197
 C   -0.89983464   1.51171679   0.14097873
 C    1.29387041   2.47947460   0.39566976
 Si   0.21905391  -1.35891535  -0.56246255
 C   -1.62184221  -0.89105944  -0.47629384
 C   -1.80914254   0.31674156   0.46623808
 C    0.83310562  -2.24194878   1.00049545
 H    0.51027471  -2.19889139  -1.78093195
 H   -2.25021315  -1.73994118  -0.15528527
 H   -1.94933537  -0.62144438  -1.49827456
 H   -1.61201463   0.01449815   1.51022615
 H   -2.85687895   0.66840101   0.42712860
 H   -1.16583607   2.33780946   0.82323562
 H   -1.11449393   1.87278568  -0.89660215
 H    2.15523473   0.23137008  -0.54587029
 H    0.94456169   0.77034858  -1.73922965
 H    0.25756666  -3.16105273   1.19785490
 H    0.73679724  -1.57079245   1.86918284
 H    1.89508274  -2.51970406   0.89672056
 H    1.25109751   3.07612469  -0.54669073
 H    0.91656116   3.11010454   1.21800696
 H    2.35209873   2.24888914   0.60005235
 23
 Energy -581.4532379256  Point 333  Step 9.317
 N    0.52986060   1.24440877   0.33117873
 C    1.07213131   0.34698722  -0.70183364
 C   -0.90018190   1.51146269   0.14337088
 C    1.28916890   2.48883515   0.38612764
 Si   0.22127521  -1.35858591  -0.56185083
 C   -1.61955068  -0.89026878  -0.47887942
 C   -1.80608903   0.31393976   0.46838583
 C    0.82494195  -2.25514205   0.99718608
 H    0.51791757  -2.19069092  -1.78438256
 H   -2.24892086  -1.73992985  -0.16196621
 H   -1.94560648  -0.61583519  -1.49997908
 H   -1.60524522   0.00901011   1.51094463
 H   -2.85451786   0.66392746   0.43371339
 H   -1.16896379   2.33712862   0.82508080
 H   -1.11601955   1.87126966  -0.89447871
 H    2.15813418   0.23167255  -0.53263644
 H    0.95310444   0.76784712  -1.73256358
 H    0.25173183  -3.17867797   1.18034800
 H    0.71872479  -1.59475479   1.87297577
 H    1.88896291  -2.52742978   0.89988626
 H    1.24149325   3.07717860  -0.56125105
 H    0.91086577   3.12493798   1.20379126
 H    2.34893438   2.26488644   0.58987780
 23
 Energy -581.4532695291  Point 334  Step 9.285
 N    0.53036597   1.24998488   0.33383738
 C    1.07591641   0.34752185  -0.69289378
 C   -0.90064762   1.51128557   0.14539868
 C    1.28430550   2.49826367   0.37671073
 Si   0.22355632  -1.35831723  -0.56140930
 C   -1.61704944  -0.88951753  -0.48107575
 C   -1.80286152   0.31117351   0.47076224
 C    0.81668215  -2.26843294   0.99380094
 H    0.52499716  -2.18263768  -1.78798231
 H   -2.24734718  -1.73994552  -0.16809649
 H   -1.94193178  -0.61038446  -1.50124062
 H   -1.59794323   0.00386473   1.51186215
 H   -2.85205917   0.65920744   0.44061260
 H   -1.17226735   2.33682169   0.82616154
 H   -1.11774672   1.86927179  -0.89289054
 H    2.16110360   0.23185484  -0.51852270
 H    0.96254164   0.76524099  -1.72571651
 H    0.24204270  -3.19364364   1.16362985
 H    0.70359937  -1.61720232   1.87559841
 H    1.88144755  -2.53985125   0.90253180
 H    1.23215821   3.07786538  -0.57585465
 H    0.90450782   3.13992556   1.18931151
 H    2.34546782   2.28095380   0.58042087
 23
 Energy -581.4532863968  Point 335  Step 9.253
 N    0.53063195   1.25550557   0.33639503
 C    1.07957350   0.34811126  -0.68401592
 C   -0.90119423   1.51140315   0.14685866
 C    1.27963146   2.50720139   0.36757317
 Si   0.22583836  -1.35784389  -0.56053007
 C   -1.61468743  -0.88887400  -0.48282497
 C   -1.80003421   0.30897240   0.47267431
 C    0.80913466  -2.28214764   0.99007585
 H    0.53221598  -2.17451286  -1.79098257
 H   -2.24555680  -1.74002106  -0.17299724
 H   -1.93862738  -0.60611655  -1.50224116
 H   -1.59151060  -0.00014822   1.51256688
 H   -2.84993628   0.65513016   0.44645645
 H   -1.17544323   2.33681824   0.82676157
 H   -1.11916923   1.86756163  -0.89193345
 H    2.16389045   0.23204834  -0.50440096
 H    0.97184151   0.76277900  -1.71886595
 H    0.23538456  -3.21103622   1.14243083
 H    0.68580439  -1.64291139   1.87922242
 H    1.87538648  -2.54972394   0.90552904
 H    1.22406221   3.07764809  -0.59033698
 H    0.89777708   3.15475457   1.17452635
 H    2.34189988   2.29622374   0.57219399
 23
 Energy -581.4532956449  Point 336  Step 9.217
 N    0.53058111   1.26110547   0.33886394
 C    1.08339531   0.34843019  -0.67457910
 C   -0.90177079   1.51187809   0.14674544
 C    1.27503077   2.51580717   0.35902128
 Si   0.22778571  -1.35750284  -0.55929770
 C   -1.61264484  -0.88826562  -0.48349329
 C   -1.79768775   0.30783945   0.47421603
 C    0.80293857  -2.29640567   0.98558594
 H    0.53822498  -2.16597649  -1.79413283
 H   -2.24401174  -1.73985516  -0.17587209
 H   -1.93586288  -0.60302584  -1.50242191
 H   -1.58602208  -0.00182628   1.51334108
 H   -2.84821487   0.65223724   0.45100353
 H   -1.17936938   2.33861690   0.82368239
 H   -1.11963307   1.86436776  -0.89339024
 H    2.16663545   0.23161423  -0.48883535
 H    0.98236326   0.75986775  -1.71155541
 H    0.23124544  -3.22918293   1.12135045
 H    0.66995017  -1.66942800   1.88202709
 H    1.87078326  -2.55926747   0.90666663
 H    1.21712515   3.07728980  -0.60407300
 H    0.89079596   3.16919539   1.16011126
 H    2.33813920   2.31068968   0.56527881
