 27
 Energy -3687.695132122 Gradient 0.00001279
 C  -2.60176266  -0.05211693  -1.21366557
 C  -1.31977488   0.75195582  -1.37416540
 C  -0.24702167  -0.30466094  -1.74686250
 C  -1.00672481  -1.62171478  -1.76798566
 C  -1.05685256  -0.69499340  -2.97187795
 C  -2.13004319   0.36071514  -2.59866460
 C  -2.28640052  -1.51432337  -0.96075177
 C  -0.11298965   0.41250800   2.16009896
 C   1.22018967   0.51186216   1.98751380
 H  -3.48439383   0.43388120  -0.79117048
 H  -1.14460017   1.74039723  -0.94936395
 H   0.83228456  -0.21246677  -1.62643733
 H  -0.44282501  -2.55437988  -1.83991434
 H  -0.71812668  -0.96025345  -3.97306009
 H  -2.69825424   0.99004543  -3.28320558
 H  -3.07756593  -2.18254435  -1.34290713
 H  -2.12322375  -1.73133180   0.10960047
 H  -0.61572813  -0.55881799   2.23119210
 H  -0.75543076   1.29754956   2.23440656
Si   2.26330343  -1.04713039   1.92066420
Cl   3.25748182  -1.34275246   3.70810049
Cl   1.06072133  -2.70049463   1.58952879
Cl   3.65868947  -0.92696923   0.40233856
Si   1.99327575   2.21211954   1.78948079
Cl   0.75736530   3.65059634   2.62344232
Cl   3.83711786   2.30960056   2.70922398
Cl   2.23424879   2.67099126  -0.21272206
 27
 Energy -3687.695136143 Gradient 0.00001292
 C  -2.59875468  -0.08485293  -1.21071457
 C  -1.33147360   0.74359708  -1.36381629
 C  -0.24088552  -0.28945427  -1.75047828
 C  -0.97722993  -1.61940713  -1.78584049
 C  -1.04585409  -0.67975830  -2.97873240
 C  -2.13688875   0.35236175  -2.59152940
 C  -2.25711704  -1.54409028  -0.97536249
 C  -0.11531964   0.42114162   2.16847811
 C   1.21757437   0.51664251   1.99159291
 H  -3.48910490   0.38046736  -0.78120682
 H  -1.17311794   1.73005199  -0.92792599
 H   0.83680418  -0.17958131  -1.63061765
 H  -0.39704952  -2.54103815  -1.86946612
 H  -0.70423369  -0.92708844  -3.98352525
 H  -2.71733311   0.97949301  -3.26775976
 H  -3.03705607  -2.22164374  -1.36413611
 H  -2.08812898  -1.77071466   0.09207278
 H  -0.62084424  -0.54866400   2.24039810
 H  -0.75471717   1.30814832   2.24573505
Si   2.25611456  -1.04523286   1.92049669
Cl   3.25678494  -1.34315853   3.70395444
Cl   1.04786824  -2.69546889   1.59450656
Cl   3.64584369  -0.92898314   0.39665139
Si   1.99506036   2.21477840   1.79223413
Cl   0.76673512   3.65590826   2.63302992
Cl   3.84304762   2.30638888   2.70407511
Cl   2.22825876   2.67552013  -0.21048038
 27
 Energy -3687.695124995 Gradient 0.00002182
 C  -2.58870070  -0.11086493  -1.20834760
 C  -1.33419376   0.73801649  -1.35534715
 C  -0.22881105  -0.27488101  -1.75317731
 C  -0.94525223  -1.61534402  -1.80012670
 C  -1.02966581  -0.66564108  -2.98401288
 C  -2.13549351   0.34633822  -2.58564032
 C  -2.22481069  -1.56693459  -0.98721339
 C  -0.11860741   0.42862695   2.18066218
 C   1.21361449   0.52044181   1.99696979
 H  -3.48528459   0.33698088  -0.77324984
 H  -1.19002059   1.72263387  -0.91051000
 H   0.84727692  -0.15030070  -1.63354607
 H  -0.35139064  -2.52730369  -1.89318814
 H  -0.68614137  -0.89889134  -3.99151321
 H  -2.72623769   0.97103254  -3.25521494
 H  -2.99508551  -2.25240946  -1.38127170
 H  -2.05061020  -1.80087340   0.07774331
 H  -0.62641870  -0.53977922   2.25525766
 H  -0.75514382   1.31736970   2.26132099
Si   2.24769989  -1.04419341   1.92092263
Cl   3.25990164  -1.34184529   3.69794834
Cl   1.03295712  -2.69193902   1.60655250
Cl   3.62752557  -0.93425392   0.38772472
Si   1.99440400   2.21678590   1.79384880
Cl   0.77646211   3.65990287   2.64625253
Cl   3.84964638   2.30255374   2.69135829
Cl   2.21341259   2.67987910  -0.20985608
 27
 Energy -3687.695113152 Gradient 0.00004122
 C  -2.56779300  -0.12212746  -1.20140604
 C  -1.32120204   0.73861514  -1.34652849
 C  -0.20756528  -0.26239217  -1.75116898
 C  -0.91203375  -1.60895043  -1.80348739
 C  -1.00710605  -0.65429138  -2.98251672
 C  -2.12119504   0.34575336  -2.57727162
 C  -2.19051237  -1.57595552  -0.98807969
 C  -0.12457630   0.43350484   2.18825035
 C   1.20718364   0.52208225   1.99966367
 H  -3.46758084   0.31565681  -0.76268077
 H  -1.18493023   1.72235560  -0.89728418
 H   0.86750370  -0.12860262  -1.63283990
 H  -0.31023222  -2.51510750  -1.90198451
 H  -0.66297537  -0.87909889  -3.99173668
 H  -2.71869512   0.96844342  -3.24267003
 H  -2.95538008  -2.26633902  -1.38416774
 H  -2.01215712  -1.81369935   0.07534042
 H  -0.63442058  -0.53366865   2.26509621
 H  -0.75875539   1.32381121   2.27062410
Si   2.23753526  -1.04481524   1.92131272
Cl   3.26034862  -1.33938571   3.69280203
Cl   1.01782382  -2.69139699   1.62029393
Cl   3.60769348  -0.94198604   0.37887140
Si   1.99033329   2.21686626   1.79194937
Cl   0.78442186   3.66105491   2.65943401
Cl   3.85506145   2.29645672   2.66995554
Cl   2.19022910   2.68389193  -0.21293632
 27
 Energy -3687.695095273 Gradient 0.00006591
 C  -2.54243665  -0.12909576  -1.18362283
 C  -1.30381952   0.74300464  -1.32889206
 C  -0.18342657  -0.24605504  -1.74387639
 C  -0.87664210  -1.59826202  -1.80122268
 C  -0.98469864  -0.63762673  -2.97421902
 C  -2.10557660   0.35039135  -2.55856038
 C  -2.15188433  -1.58086551  -0.98023628
 C  -0.13196859   0.43458857   2.18685815
 C   1.19963889   0.52129019   1.99607465
 H  -3.44417072   0.29834282  -0.73871633
 H  -1.17402309   1.72554361  -0.87519983
 H   0.89088587  -0.10377459  -1.62918140
 H  -0.26750560  -2.49863432  -1.90733250
 H  -0.64277642  -0.85342935  -3.98614585
 H  -2.71104686   0.97197521  -3.21776029
 H  -2.91252945  -2.27558872  -1.37683100
 H  -1.96639264  -1.82295438   0.08095000
 H  -0.64278601  -0.53179390   2.26674164
 H  -0.76516673   1.32565447   2.26874498
Si   2.22803293  -1.04677444   1.92018952
Cl   3.25367398  -1.33671867   3.69080296
Cl   1.00669519  -2.69368550   1.62721388
Cl   3.59521734  -0.95030562   0.37462648
Si   1.98365400   2.21523979   1.78533552
Cl   0.78841683   3.65850705   2.66896099
Cl   3.85724159   2.28942828   2.64461895
Cl   2.16518819   2.68897121  -0.21983376
 27
 Energy -3687.69505333 Gradient 0.00009521
 C  -2.51825285  -0.13611019  -1.16134509
 C  -1.28704792   0.74712676  -1.30274629
 C  -0.16000492  -0.22927576  -1.72932450
 C  -0.84248882  -1.58649761  -1.79617860
 C  -0.96172985  -0.61688432  -2.96063660
 C  -2.08927056   0.35842595  -2.53338782
 C  -2.11562058  -1.58644524  -0.97174982
 C  -0.13963115   0.43401047   2.17779915
 C   1.19213025   0.51951495   1.98742319
 H  -3.42211414   0.28036606  -0.71038731
 H  -1.16385857   1.72716149  -0.84191656
 H   0.91342697  -0.07920000  -1.61691056
 H  -0.22643603  -2.48098430  -1.91160846
 H  -0.62092400  -0.82112509  -3.97533210
 H  -2.70147975   0.98090031  -3.18547301
 H  -2.87178048  -2.28351956  -1.37278199
 H  -1.92562444  -1.83681597   0.08666554
 H  -0.65128676  -0.53184674   2.25872947
 H  -0.77227128   1.32552696   2.25867995
Si   2.21948045  -1.04927310   1.91681358
Cl   3.24152251  -1.33328001   3.69054337
Cl   0.99851618  -2.69724442   1.62777441
Cl   3.58932921  -0.95998155   0.37310467
Si   1.97651957   2.21331961   1.77660157
Cl   0.78927605   3.65400460   2.67528912
Cl   3.85712496   2.28262969   2.62062274
Cl   2.14311990   2.69634806  -0.22774119
 27
 Energy -3687.694995015 Gradient 0.00013057
 C  -2.49405551  -0.14035031  -1.13684709
 C  -1.26787864   0.75066264  -1.27349614
 C  -0.13655930  -0.21592027  -1.71071467
 C  -0.81188828  -1.57620837  -1.78752145
 C  -0.93887546  -0.59751035  -2.94349895
 C  -2.07073131   0.36790173  -2.50561814
 C  -2.08338909  -1.59013004  -0.96075499
 C  -0.14734869   0.43242071   2.16520757
 C   1.18466658   0.51749486   1.97618645
 H  -3.39926531   0.26729400  -0.68056098
 H  -1.14898546   1.72791617  -0.80578379
 H   0.93622313  -0.06079978  -1.59940817
 H  -0.19123834  -2.46631337  -1.91178896
 H  -0.59950636  -0.79177992  -3.96061682
 H  -2.68753102   0.99287087  -3.15094543
 H  -2.83663390  -2.28748204  -1.36678083
 H  -1.89038711  -1.84922512   0.09495479
 H  -0.65943684  -0.53316281   2.24640068
 H  -0.77996754   1.32402493   2.24506779
Si   2.21159166  -1.05164734   1.91180165
Cl   3.22627449  -1.33052010   3.69067390
Cl   0.99214097  -2.70096394   1.62389254
Cl   3.58699265  -0.96845900   0.37274468
Si   1.96901328   2.21150002   1.76696415
Cl   0.78842477   3.64869312   2.67997983
Cl   3.85558996   2.27561589   2.59774681
Cl   2.12294903   2.70496079  -0.23601605
 27
 Energy -3687.694900303 Gradient 0.00017316
 C  -2.46953964  -0.14172035  -1.11061687
 C  -1.24674130   0.75446605  -1.24415053
 C  -0.11326758  -0.20510645  -1.69082566
 C  -0.78400866  -1.56718821  -1.77542322
 C  -0.91731441  -0.58090199  -2.92422109
 C  -2.05151966   0.37729901  -2.47684911
 C  -2.05364159  -1.59133318  -0.94597798
 C  -0.15524661   0.43054657   2.14960143
 C   1.17722191   0.51522613   1.96343348
 H  -3.37503454   0.25958630  -0.64929150
 H  -1.13012116   1.72940369  -0.77116873
 H   0.95925175  -0.04696584  -1.58196068
 H  -0.16053709  -2.45420882  -1.90719825
 H  -0.57924525  -0.76620153  -3.94343544
 H  -2.67198402   1.00479995  -3.11615541
 H  -2.80550363  -2.28799067  -1.35572450
 H  -1.85772295  -1.85793443   0.10726377
 H  -0.66754373  -0.53493590   2.23040224
 H  -0.78816113   1.32207360   2.22773448
Si   2.20382753  -1.05420395   1.90617120
Cl   3.20948987  -1.32799447   3.69102559
Cl   0.98630781  -2.70503065   1.61794588
Cl   3.58650626  -0.97587332   0.37315443
Si   1.96160491   2.20951989   1.75640767
Cl   0.78668461   3.64247699   2.68339754
Cl   3.85342403   2.26881866   2.57542309
Cl   2.10474517   2.71455166  -0.24459427
 27
 Energy -3687.694764251 Gradient 0.00022057
 C  -2.44488931  -0.14030248  -1.08346452
 C  -1.22444066   0.75940327  -1.21647566
 C  -0.09014122  -0.19536315  -1.67099100
 C  -0.75794189  -1.55859288  -1.75999900
 C  -0.89700727  -0.56727341  -2.90373444
 C  -2.03211598   0.38608363  -2.44851944
 C  -2.02533412  -1.58983361  -0.92748435
 C  -0.16231000   0.42875311   2.13347855
 C   1.17052166   0.51273928   1.94922358
 H  -3.35005323   0.25660909  -0.61768896
 H  -1.10846407   1.73287794  -0.74052095
 H   0.98227149  -0.03498273  -1.56479843
 H  -0.13270876  -2.44342915  -1.89781790
 H  -0.56175140  -0.74738045  -3.92479431
 H  -2.65566860   1.01561926  -3.08281743
 H  -2.77674243  -2.28572556  -1.33933979
 H  -1.82667271  -1.86209724   0.12367636
 H  -0.67527806  -0.53629239   2.21487086
 H  -0.79497481   1.32053032   2.21022536
Si   2.19647954  -1.05721656   1.89990502
Cl   3.19163707  -1.32453005   3.69169891
Cl   0.98076987  -2.70947318   1.61167640
Cl   3.58708410  -0.98600492   0.37365082
Si   1.95442099   2.20767374   1.74518874
Cl   0.78369733   3.63556509   2.68549030
Cl   3.85083295   2.26281743   2.55347796
Cl   2.08806300   2.72586436  -0.25330658
 27
 Energy -3687.6946196 Gradient 0.00027827
 C  -2.42075317  -0.13798568  -1.05660895
 C  -1.20186962   0.76412420  -1.18852027
 C  -0.06725743  -0.18690490  -1.64973982
 C  -0.73321234  -1.55071241  -1.74330704
 C  -0.87650616  -0.55468114  -2.88225227
 C  -2.01188773   0.39483915  -2.42024045
 C  -1.99893746  -1.58766969  -0.90845504
 C  -0.16857263   0.42663310   2.11868763
 C   1.16425697   0.51045795   1.93393583
 H  -3.32544918   0.25560714  -0.58714044
 H  -1.08650688   1.73630231  -0.70986905
 H   1.00517144  -0.02531995  -1.54626905
 H  -0.10696959  -2.43397482  -1.88638983
 H  -0.54278305  -0.72892922  -3.90482025
 H  -2.63757515   1.02652022  -3.05024082
 H  -2.75022996  -2.28236904  -1.32253705
 H  -1.79789278  -1.86536738   0.14078467
 H  -0.68164797  -0.53824880   2.20089472
 H  -0.80121862   1.31832875   2.19577548
Si   2.18931998  -1.06019384   1.89246346
Cl   3.17281366  -1.32064900   3.69182190
Cl   0.97535811  -2.71398698   1.60458040
Cl   3.58902321  -0.99784281   0.37409118
Si   1.94726982   2.20629690   1.73360295
Cl   0.77957716   3.62819410   2.68691167
Cl   3.84753729   2.25705035   2.53285565
Cl   2.07307879   2.73902727  -0.26176416
 27
 Energy -3687.69442384 Gradient 0.00033933
 C  -2.40000984  -0.13731840  -1.03348785
 C  -1.18303655   0.76866962  -1.15936237
 C  -0.04547898  -0.17759646  -1.62302449
 C  -0.70787269  -1.54274480  -1.72380943
 C  -0.85233579  -0.54203569  -2.85822179
 C  -1.99054986   0.40247714  -2.39391465
 C  -1.97510810  -1.58675131  -0.89168983
 C  -0.17422845   0.42468630   2.10372311
 C   1.15845009   0.50826362   1.91747694
 H  -3.30628948   0.25199836  -0.56350619
 H  -1.07178065   1.73955359  -0.67722705
 H   1.02739483  -0.01629386  -1.52541613
 H  -0.07914142  -2.42375826  -1.86968282
 H  -0.51608214  -0.71041945  -3.88089157
 H  -2.61664731   1.03567266  -3.02198175
 H  -2.72392598  -2.28081352  -1.31127262
 H  -1.77605765  -1.86980546   0.15639877
 H  -0.68738133  -0.54004054   2.18707598
 H  -0.80677041   1.31626419   2.18181605
Si   2.18245413  -1.06324211   1.88417710
Cl   3.15354043  -1.31604949   3.69150132
Cl   0.96996035  -2.71833697   1.59692534
Cl   3.59166273  -1.01110944   0.37418738
Si   1.94046430   2.20527186   1.72181778
Cl   0.77439574   3.62030544   2.68764156
Cl   3.84379472   2.25166719   2.51382290
Cl   2.06050704   2.75385582  -0.26975460
 27
 Energy -3687.694181316 Gradient 0.00041346
 C  -2.37996249  -0.13651792  -1.00950598
 C  -1.16431336   0.77179624  -1.12940691
 C  -0.02442509  -0.16992953  -1.59598300
 C  -0.68438402  -1.53556854  -1.70451611
 C  -0.82849263  -0.52947852  -2.83432693
 C  -1.96934124   0.41030336  -2.36685616
 C  -1.95303444  -1.58599479  -0.87476172
 C  -0.17923217   0.42238129   2.08870821
 C   1.15322685   0.50622268   1.90019348
 H  -3.28774741   0.24893054  -0.53923537
 H  -1.05530798   1.74163107  -0.64486194
 H   1.04694832  -0.00415749  -1.48929616
 H  -0.05390807  -2.41472168  -1.85392747
 H  -0.49087313  -0.69258414  -3.85741743
 H  -2.59510906   1.04634438  -2.99232234
 H  -2.70013035  -2.27867189  -1.29964011
 H  -1.75558016  -1.87501035   0.17191793
 H  -0.69205374  -0.54240244   2.17302080
 H  -0.81186451   1.31366991   2.16866266
Si   2.17590051  -1.06612613   1.87499444
Cl   3.13380362  -1.31033915   3.69064156
Cl   0.96484884  -2.72269345   1.58891789
Cl   3.59499552  -1.02580885   0.37386350
Si   1.93385803   2.20442141   1.70994035
Cl   0.76818434   3.61189988   2.68759374
Cl   3.83961551   2.24652127   2.49611203
Cl   2.05018475   2.77036418  -0.27723312
 27
 Energy -3687.693879342 Gradient 0.00049882
 C  -2.35801123  -0.13409842  -0.98190026
 C  -1.14173653   0.77393302  -1.09857305
 C  -0.00331485  -0.16594982  -1.57191428
 C  -0.66447527  -1.53050190  -1.68716819
 C  -0.80953964  -0.51804276  -2.81106134
 C  -1.94899272   0.41972226  -2.33675728
 C  -1.93237931  -1.58480094  -0.85649963
 C  -0.18356539   0.42004783   2.07425773
 C   1.14840499   0.50436431   1.88180234
 H  -3.26481722   0.24945548  -0.50822458
 H  -1.03167565   1.74189214  -0.61073160
 H   1.06834331  -0.00117906  -1.46682931
 H  -0.03482781  -2.40921655  -1.84234865
 H  -0.47325453  -0.67541427  -3.83547195
 H  -2.57495840   1.05998007  -2.95766135
 H  -2.68057422  -2.27375415  -1.28548670
 H  -1.73465976  -1.88120373   0.18794722
 H  -0.69585296  -0.54483390   2.16008980
 H  -0.81622715   1.31091777   2.15747245
Si   2.16952124  -1.06894284   1.86490306
Cl   3.11368817  -1.30319036   3.68923199
Cl   0.95987568  -2.72710913   1.58077572
Cl   3.59881624  -1.04181850   0.37312065
Si   1.92755802   2.20389172   1.69784104
Cl   0.76108979   3.60308349   2.68682969
Cl   3.83506861   2.24127517   2.47972228
Cl   2.04192004   2.78861606  -0.28427217
 27
 Energy -3687.693515712 Gradient 0.00059373
 C  -2.33642542  -0.13163375  -0.95396836
 C  -1.11837461   0.77475268  -1.06717991
 C   0.01735030  -0.16430372  -1.54786234
 C  -0.64670194  -1.52682281  -1.67051135
 C  -0.79176005  -0.50720276  -2.78784071
 C  -1.92854870   0.42963731  -2.30597851
 C  -1.91385728  -1.58402787  -0.83883741
 C  -0.18750417   0.41801197   2.05978314
 C   1.14388938   0.50268487   1.86273713
 H  -3.24153798   0.25095920  -0.47627615
 H  -1.00726701   1.73976604  -0.57407781
 H   1.08954088  -0.00187334  -1.44480079
 H  -0.01902386  -2.40575863  -1.83223199
 H  -0.45706450  -0.65838040  -3.81366790
 H  -2.55368335   1.07579181  -2.92157797
 H  -2.66397876  -2.26807376  -1.27228424
 H  -1.71614038  -1.88870981   0.20312561
 H  -0.69926239  -0.54697140   2.14731872
 H  -0.82000974   1.30849047   2.14686582
Si   2.16336790  -1.07151662   1.85421674
Cl   3.09349114  -1.29453727   3.68725703
Cl   0.95511086  -2.73137484   1.57269994
Cl   3.60296540  -1.05873127   0.37204374
Si   1.92155067   2.20364172   1.68557517
Cl   0.75337867   3.59396307   2.68558820
Cl   3.83011744   2.23559017   2.46487243
Cl   2.03561212   2.80831470  -0.29081621
 27
 Energy -3687.693080047 Gradient 0.00070014
 C  -2.31535782  -0.12945985  -0.92554470
 C  -1.09476326   0.77403594  -1.03450666
 C   0.03744571  -0.16467266  -1.52354011
 C  -0.63078065  -1.52433167  -1.65517595
 C  -0.77473686  -0.49629374  -2.76475769
 C  -1.90812110   0.43977360  -2.27429745
 C  -1.89719981  -1.58412207  -0.82248310
 C  -0.19108268   0.41586285   2.04492012
 C   1.13963328   0.50115102   1.84265596
 H  -3.21868011   0.25219753  -0.44375965
 H  -0.97953758   1.73745381  -0.53948386
 H   1.11028410  -0.00563856  -1.42198147
 H  -0.00582647  -2.40378969  -1.82420317
 H  -0.44182551  -0.64062550  -3.79214655
 H  -2.53166651   1.09322814  -2.88373162
 H  -2.65008039  -2.26174632  -1.26118696
 H  -1.69976153  -1.89860371   0.21648687
 H  -0.70220760  -0.54928994   2.13387320
 H  -0.82349743   1.30580123   2.13657596
Si   2.15755317  -1.07384117   1.84275342
Cl   3.07330124  -1.28451872   3.68462850
Cl   0.95028284  -2.73531551   1.56494474
Cl   3.60755608  -1.07592154   0.37066095
Si   1.91571786   2.20354943   1.67359138
Cl   0.74517576   3.58479008   2.68391533
Cl   3.82494561   2.22943942   2.45133341
Cl   2.03096455   2.82884597  -0.29662277
 27
 Energy -3687.692554488 Gradient 0.00083745
 C  -2.29469258  -0.12827111  -0.89673215
 C  -1.07075393   0.77159978  -1.00030138
 C   0.05713927  -0.16688620  -1.49891729
 C  -0.61642073  -1.52284823  -1.64149310
 C  -0.75850612  -0.48472308  -2.74169487
 C  -1.88766760   0.45070376  -2.24124961
 C  -1.88216224  -1.58547738  -0.80786511
 C  -0.19483387   0.41414703   2.02833022
 C   1.13543114   0.49998521   1.82227751
 H  -3.19570298   0.25259939  -0.41001485
 H  -0.95183461   1.73191054  -0.50057593
 H   1.13076192  -0.01225135  -1.39901525
 H   0.00504432  -2.40304414  -1.81926791
 H  -0.42745411  -0.62075545  -3.77078402
 H  -2.50898841   1.11252550  -2.84381332
 H  -2.63829044  -2.25537974  -1.25277070
 H  -1.68536255  -1.91141173   0.22758346
 H  -0.70557783  -0.55114701   2.11725845
 H  -0.82696307   1.30356730   2.12531089
Si   2.15173810  -1.07571036   1.83094065
Cl   3.05379476  -1.27381866   3.68117836
Cl   0.94524958  -2.73860196   1.55733615
Cl   3.61227184  -1.09256062   0.36930291
Si   1.91026613   2.20352827   1.66186847
Cl   0.73666316   3.57534567   2.68181398
Cl   3.81962880   2.22261864   2.43917035
Cl   2.02760606   2.84975215  -0.30189053
 27
 Energy -3687.691947389 Gradient 0.00101424
 C  -2.27442919  -0.12766067  -0.86755786
 C  -1.04628776   0.76740012  -0.96467927
 C   0.07634536  -0.17120390  -1.47393966
 C  -0.60389346  -1.52246421  -1.62921820
 C  -0.74300386  -0.47277003  -2.71861281
 C  -1.86710257   0.46217538  -2.20706040
 C  -1.86909915  -1.58783162  -0.79489720
 C  -0.19926492   0.41262700   2.00812984
 C   1.13104217   0.49904446   1.80135989
 H  -3.17276627   0.25260151  -0.37548019
 H  -0.92290778   1.72446789  -0.46031211
 H   1.15091307  -0.02213568  -1.37555742
 H   0.01323963  -2.40361330  -1.81687960
 H  -0.41381744  -0.59954011  -3.74946394
 H  -2.48555550   1.13434277  -2.80103752
 H  -2.62914868  -2.24835608  -1.24705804
 H  -1.67348355  -1.92698250   0.23638860
 H  -0.70976218  -0.55279322   2.09609711
 H  -0.83112382   1.30158046   2.10946825
Si   2.14586120  -1.07670574   1.81919419
Cl   3.03534700  -1.26250003   3.67670249
Cl   0.93990336  -2.74108537   1.55033296
Cl   3.61720114  -1.10838617   0.36824887
Si   1.90522557   2.20339589   1.65020352
Cl   0.72823200   3.56574125   2.67943128
Cl   3.81398501   2.21514051   2.42862843
Cl   2.02546262   2.87054926  -0.30681498
 27
 Energy -3687.691208967 Gradient 0.00127268
 C  -2.25500272  -0.12774072  -0.83816200
 C  -1.02162323   0.76139154  -0.92769095
 C   0.09491622  -0.17755708  -1.44851080
 C  -0.59332474  -1.52303637  -1.61847010
 C  -0.72815248  -0.46027827  -2.69547104
 C  -1.84642460   0.47419534  -2.17165335
 C  -1.85836423  -1.59115483  -0.78396198
 C  -0.20455954   0.41175820   1.98154550
 C   1.12660614   0.49830248   1.77900731
 H  -3.15032467   0.25202948  -0.34023312
 H  -0.89331042   1.71490280  -0.41856544
 H   1.17049837  -0.03522305  -1.35127439
 H   0.01867024  -2.40535613  -1.81707292
 H  -0.40075001  -0.57641616  -3.72810689
 H  -2.46082764   1.15804220  -2.75631307
 H  -2.62286683  -2.24051656  -1.24468303
 H  -1.66487028  -1.94554951   0.24249302
 H  -0.71569211  -0.55353398   2.06589005
 H  -0.83587967   1.30045760   2.08663596
Si   2.14005990  -1.07714946   1.80723983
Cl   3.01836359  -1.25076040   3.67119279
Cl   0.93403554  -2.74284655   1.54485763
Cl   3.62269851  -1.12264133   0.36777550
Si   1.90041880   2.20303925   1.63909550
Cl   0.72029760   3.55645251   2.67698111
Cl   3.80807159   2.20719614   2.41975019
Cl   2.02405297   2.89017994  -0.31135673
 27
 Energy -3687.690306965 Gradient 0.00169231
 C  -2.23660596  -0.12857315  -0.80864946
 C  -0.99712083   0.75338449  -0.88913422
 C   0.11254369  -0.18582755  -1.42252204
 C  -0.58491985  -1.52433130  -1.60949807
 C  -0.71404624  -0.44685278  -2.67222847
 C  -1.82601963   0.48660278  -2.13506573
 C  -1.85028904  -1.59551706  -0.77558725
 C  -0.21152979   0.41138251   1.94522823
 C   1.12188743   0.49779671   1.75562354
 H  -3.12864079   0.25068396  -0.30449864
 H  -0.86360501   1.70405052  -0.37691807
 H   1.18919462  -0.05135527  -1.32578191
 H   0.02122568  -2.40780017  -1.82034307
 H  -0.38815612  -0.55081684  -3.70660807
 H  -2.43502796   1.18440507  -2.70867386
 H  -2.61977493  -2.23135281  -1.24670067
 H  -1.66010776  -1.96780702   0.24500051
 H  -0.72398938  -0.55366121   2.02193058
 H  -0.84260168   1.29971260   2.05272722
Si   2.13405003  -1.07664902   1.79577682
Cl   3.00388735  -1.23998433   3.66451571
Cl   0.92786910  -2.74379924   1.54104406
Cl   3.62842852  -1.13419346   0.36838977
Si   1.89598582   2.20238408   1.62893014
Cl   0.71357609   3.54802239   2.67465727
Cl   3.80195573   2.19917976   2.41258646
Cl   2.02290671   2.90752125  -0.31559637
 27
 Energy -3687.689138848 Gradient 0.00235418
 C  -2.22037994  -0.13050422  -0.77971102
 C  -0.97379136   0.74344899  -0.84979909
 C   0.12871545  -0.19550300  -1.39636662
 C  -0.57864804  -1.52592105  -1.60253471
 C  -0.70087133  -0.43237347  -2.64924587
 C  -1.80656876   0.49901068  -2.09777794
 C  -1.84510088  -1.60084878  -0.77029173
 C  -0.22060733   0.41191138   1.89671558
 C   1.11655687   0.49757878   1.73111445
 H  -3.10909996   0.24770250  -0.26893627
 H  -0.83446063   1.69275573  -0.33787153
 H   1.20632599  -0.06965378  -1.29886721
 H   0.02125943  -2.41033943  -1.82663182
 H  -0.37634209  -0.52275625  -3.68526683
 H  -2.40804312   1.21297061  -2.65915132
 H  -2.61960548  -2.22121208  -1.25365860
 H  -1.65981067  -1.99335912   0.24356111
 H  -0.73551105  -0.55255034   1.95986651
 H  -0.85131274   1.29998328   2.00560350
Si   2.12773391  -1.07474554   1.78581181
Cl   2.99283814  -1.23145508   3.65711021
Cl   0.92227487  -2.74388698   1.53891589
Cl   3.63355512  -1.14270365   0.37046881
Si   1.89176545   2.20096413   1.62027504
Cl   0.70882273   3.54094055   2.67244809
Cl   3.79584848   2.19201308   2.40714800
Cl   2.02195976   2.92167017  -0.31923072
 27
 Energy -3687.687544808 Gradient 0.00336627
 C  -2.20680448  -0.13334118  -0.75263929
 C  -0.95265139   0.73172494  -0.81033982
 C   0.14269198  -0.20576566  -1.37055182
 C  -0.57451812  -1.52731547  -1.59771518
 C  -0.68874245  -0.41689118  -2.62712203
 C  -1.78926641   0.51020555  -2.06139487
 C  -1.84254397  -1.60679460  -0.76801718
 C  -0.23208792   0.41422780   1.83594049
 C   1.11003956   0.49749407   1.70550733
 H  -3.09224551   0.24340342  -0.23516670
 H  -0.80851792   1.68326722  -0.30543541
 H   1.22108515  -0.08885534  -1.27066653
 H   0.01955399  -2.41200378  -1.83553504
 H  -0.36481843  -0.49242837  -3.66448173
 H  -2.38086957   1.24297587  -2.60866232
 H  -2.62197436  -2.21043147  -1.26435158
 H  -1.66281695  -2.02051708   0.23829119
 H  -0.75050584  -0.54896643   1.88145579
 H  -0.86150379   1.30237076   1.94805440
Si   2.12110196  -1.07097318   1.77820607
Cl   2.98562146  -1.22602470   3.65000390
Cl   0.91847602  -2.74295129   1.53811619
Cl   3.63725609  -1.14864120   0.37384749
Si   1.88786484   2.19811681   1.61343850
Cl   0.70640637   3.53531447   2.67020209
Cl   3.78999330   2.18660479   2.40309743
Cl   2.02120087   2.93221274  -0.32155042
 27
 Energy -3687.685297962 Gradient 0.00496910
 C  -2.19754997  -0.13730336  -0.72860526
 C  -0.93451117   0.71826649  -0.77234243
 C   0.15462258  -0.21621338  -1.34587423
 C  -0.57216596  -1.52793218  -1.59470002
 C  -0.67767386  -0.40062944  -2.60651810
 C  -1.77394502   0.52036903  -2.02675612
 C  -1.84183747  -1.61273564  -0.76736051
 C  -0.24604766   0.41872799   1.76567976
 C   1.10142429   0.49705099   1.67868661
 H  -3.07983838   0.23752706  -0.20429848
 H  -0.78669842   1.67562445  -0.28169151
 H   1.23340482  -0.10794906  -1.24081935
 H   0.01590954  -2.41268677  -1.84638954
 H  -0.35464344  -0.46144754  -3.64502300
 H  -2.35225740   1.27506869  -2.55787096
 H  -2.62517869  -2.20196169  -1.27465507
 H  -1.66615802  -2.04596098   0.23146062
 H  -0.76906796  -0.54225162   1.79083217
 H  -0.87267028   1.30730346   1.88490360
Si   2.11437941  -1.06482201   1.77336952
Cl   2.98206337  -1.22378132   3.64461908
Cl   0.91682885  -2.74126956   1.53800224
Cl   3.63953955  -1.15281278   0.37745797
Si   1.88381845   2.19265707   1.60881697
Cl   0.70601466   3.53131598   2.66790329
Cl   3.78517079   2.18342175   2.40006506
Cl   2.02078999   2.93973623  -0.32264214
 27
 Energy -3687.68209082 Gradient 0.00766465
 C  -2.19398973  -0.13841980  -0.71204216
 C  -0.91790420   0.69676411  -0.72669777
 C   0.16464844  -0.22423863  -1.32687649
 C  -0.56980037  -1.52649966  -1.59350342
 C  -0.66782073  -0.38409180  -2.58951058
 C  -1.76436886   0.52172978  -1.99736718
 C  -1.84186385  -1.61364496  -0.76683736
 C  -0.26190874   0.42513727   1.69088586
 C   1.09175570   0.49615909   1.65315425
 H  -3.07312045   0.23554526  -0.18194405
 H  -0.76960574   1.67678852  -0.28517620
 H   1.24333415  -0.12126603  -1.21468791
 H   0.01162860  -2.41203484  -1.85654784
 H  -0.34719546  -0.42951345  -3.62948615
 H  -2.31095485   1.31467354  -2.50533732
 H  -2.62804811  -2.19328874  -1.28027017
 H  -1.66832282  -2.05702156   0.22762745
 H  -0.78791624  -0.53371536   1.70913528
 H  -0.88355142   1.31388703   1.82882327
Si   2.10805394  -1.05581080   1.77116320
Cl   2.98130907  -1.22395604   3.64187331
Cl   0.91635595  -2.74002039   1.53799061
Cl   3.64128166  -1.15588135   0.37988068
Si   1.87966625   2.18371853   1.60673270
Cl   0.70642587   3.52923728   2.66607636
Cl   3.78237771   2.18223955   2.39812126
Cl   2.02071705   2.94519387  -0.32377706
 27
 Energy -3687.677141816 Gradient 0.00625238
 C  -2.19009008  -0.13071027  -0.70853298
 C  -0.89584257   0.66772148  -0.65891919
 C   0.16978398  -0.22692286  -1.31646125
 C  -0.56682646  -1.52330088  -1.59349435
 C  -0.66208951  -0.36968761  -2.57806248
 C  -1.77081911   0.50700779  -1.98840954
 C  -1.84126802  -1.60832600  -0.76685241
 C  -0.27839374   0.43135549   1.62316017
 C   1.08546259   0.49522709   1.63453920
 H  -3.06639797   0.24286169  -0.17316935
 H  -0.76064973   1.69494051  -0.33770759
 H   1.24851451  -0.12370767  -1.20325402
 H   0.00933758  -2.40954323  -1.86358269
 H  -0.34019906  -0.39896217  -3.61789092
 H  -2.25993124   1.35623261  -2.46184670
 H  -2.63151875  -2.18121806  -1.28077274
 H  -1.66918319  -2.05114393   0.22753395
 H  -0.80159507  -0.52785796   1.67011334
 H  -0.89280421   1.31736578   1.80299185
Si   2.10312295  -1.04647314   1.77069566
Cl   2.98185753  -1.22501483   3.64113828
Cl   0.91604644  -2.73981752   1.53785501
Cl   3.64291373  -1.15800910   0.38079152
Si   1.87637850   2.17434432   1.60641467
Cl   0.70669500   3.52871747   2.66511717
Cl   3.78145889   2.18217640   2.39720327
Cl   2.02081665   2.94880358  -0.32528753
 27
 Energy -3687.671191988 Gradient 0.00007469
 C  -2.18213989  -0.11822012  -0.71329569
 C  -0.86656674   0.64192214  -0.57620073
 C   0.16979449  -0.22660893  -1.30967601
 C  -0.56408127  -1.52020141  -1.59338364
 C  -0.66204298  -0.35871551  -2.57091348
 C  -1.79020727   0.48556955  -2.00119736
 C  -1.83984962  -1.60203276  -0.76746558
 C  -0.29537841   0.43576038   1.56660146
 C   1.08359047   0.49457768   1.62280970
 H  -3.05648415   0.25612684  -0.17445162
 H  -0.75715868   1.71100379  -0.41574368
 H   1.24969814  -0.11916553  -1.20711169
 H   0.00929753  -2.40553466  -1.86979858
 H  -0.33021001  -0.37119700  -3.60775369
 H  -2.21826371   1.38553529  -2.43908632
 H  -2.63446655  -2.16909932  -1.28014056
 H  -1.66882057  -2.03956915   0.22830986
 H  -0.80953895  -0.52456830   1.66764096
 H  -0.89881714   1.31657000   1.80448239
Si   2.09983770  -1.03933094   1.77084395
Cl   2.98255714  -1.22592305   3.64113755
Cl   0.91574103  -2.74010762   1.53767687
Cl   3.64418274  -1.15938592   0.38091669
Si   1.87425570   2.16732244   1.60651280
Cl   0.70675496   3.52875435   2.66475037
Cl   3.78133072   2.18239080   2.39685653
Cl   2.02101834   2.95107910  -0.32664005
 27
 Energy -3687.668461488  ZPE 0.168686  G(298.15) 72.42
 C  -2.17181238  -0.10598191  -0.71904513
 C  -0.83421863   0.62192910  -0.49039162
 C   0.16757109  -0.22649913  -1.30069289
 C  -0.56140896  -1.51772306  -1.59272189
 C  -0.66658600  -0.34946698  -2.56550376
 C  -1.81130634   0.46529056  -2.02194553
 C  -1.83823247  -1.59692821  -0.76806108
 C  -0.31469754   0.43886890   1.51188028
 C   1.08357113   0.49414657   1.61326180
 H  -3.04608235   0.26777032  -0.17821272
 H  -0.75304065   1.71001095  -0.47934095
 H   1.24916310  -0.11400932  -1.21970640
 H   0.00909006  -2.40231079  -1.87583919
 H  -0.31819460  -0.34547108  -3.59664038
 H  -2.19602827   1.39766461  -2.43378903
 H  -2.63630043  -2.16082749  -1.27829723
 H  -1.66759925  -2.03038045   0.22892536
 H  -0.81392293  -0.52183973   1.67772416
 H  -0.90333095   1.31081876   1.81783133
Si   2.09756858  -1.03399892   1.77098596
Cl   2.98310914  -1.22654845   3.64124235
Cl   0.91550804  -2.74042295   1.53755007
Cl   3.64510915  -1.16036883   0.38085373
Si   1.87279604   2.16216449   1.60640307
Cl   0.70674042   3.52877948   2.66457530
Cl   3.78132163   2.18257268   2.39667284
Cl   2.02121337   2.95276087  -0.32771841
 27
 Energy -3687.671563269 Gradient 0.00007469
 C  -2.15993926  -0.09426884  -0.72341718
 C  -0.80088993   0.60592020  -0.40555455
 C   0.16488619  -0.22730350  -1.28710575
 C  -0.55810638  -1.51524911  -1.59151439
 C  -0.67520098  -0.34056745  -2.56103765
 C  -1.82958858   0.44715452  -2.04432166
 C  -1.83653014  -1.59237351  -0.76868006
 C  -0.33739233   0.44117482   1.45388114
 C   1.08428575   0.49384091   1.60356477
 H  -3.03644631   0.27769101  -0.18343983
 H  -0.74305938   1.69568450  -0.51374196
 H   1.24820493  -0.10926849  -1.23904676
 H   0.00903122  -2.39910259  -1.88305991
 H  -0.30256112  -0.31890047  -3.58319141
 H  -2.19254710   1.39413167  -2.44578115
 H  -2.63685906  -2.15445122  -1.27707069
 H  -1.66579668  -2.02377448   0.22894106
 H  -0.81637803  -0.51782575   1.68904797
 H  -0.90703806   1.30055316   1.83228711
Si   2.09580786  -1.02982832   1.77100398
Cl   2.98350719  -1.22698736   3.64133250
Cl   0.91533277  -2.74063044   1.53745618
Cl   3.64591970  -1.16116170   0.38079662
Si   1.87174975   2.15813287   1.60599678
Cl   0.70673200   3.52867976   2.66444132
Cl   3.78128232   2.18266513   2.39654360
Cl   2.02145521   2.95422982  -0.32859209
 27
 Energy -3687.679723424 Gradient 0.00760956
 C  -2.14603074  -0.08181565  -0.72562735
 C  -0.76794076   0.59195508  -0.32465086
 C   0.16285699  -0.22955389  -1.26692251
 C  -0.55346606  -1.51188070  -1.58960815
 C  -0.68725443  -0.33114258  -2.55718729
 C  -1.84507532   0.43038590  -2.06692291
 C  -1.83452725  -1.58723961  -0.76939599
 C  -0.36269896   0.44198000   1.39332977
 C   1.08478362   0.49350377   1.59207042
 H  -3.02728687   0.28763386  -0.19047962
 H  -0.72459208   1.67453671  -0.51907753
 H   1.24690158  -0.10434183  -1.26349449
 H   0.00985221  -2.39440459  -1.89250463
 H  -0.28170602  -0.28878194  -3.56617467
 H  -2.20233100   1.38003860  -2.47063974
 H  -2.63601380  -2.14649685  -1.27860000
 H  -1.66370906  -2.01869492   0.22783354
 H  -0.81823864  -0.51256395   1.69484746
 H  -0.91131903   1.28666384   1.83875673
Si   2.09421234  -1.02614878   1.77089350
Cl   2.98377693  -1.22730508   3.64136140
Cl   0.91519616  -2.74070427   1.53734686
Cl   3.64671801  -1.16196407   0.38079431
Si   1.87092326   2.15465806   1.60512394
Cl   0.70678743   3.52835975   2.66428778
Cl   3.78114522   2.18266754   2.39646450
Cl   2.02183530   2.95576712  -0.32938943
 27
 Energy -3687.688109604 Gradient 0.01176931
 C  -2.12826580  -0.06550370  -0.72476579
 C  -0.73689560   0.57852997  -0.25327936
 C   0.16343192  -0.23530685  -1.23526686
 C  -0.54584570  -1.50599437  -1.58528870
 C  -0.70185616  -0.31967916  -2.55255771
 C  -1.86077865   0.41311578  -2.09037378
 C  -1.83133778  -1.57917447  -0.76960248
 C  -0.38915232   0.43756655   1.33794512
 C   1.08311347   0.49247087   1.57450368
 H  -3.01672943   0.29772775  -0.19617265
 H  -0.69567986   1.65180562  -0.50093164
 H   1.24475022  -0.09819519  -1.28845232
 H   0.01129118  -2.38742277  -1.90362134
 H  -0.25568424  -0.25376693  -3.54273338
 H  -2.23618357   1.34744376  -2.51375310
 H  -2.63355711  -2.13412319  -1.28192128
 H  -1.66218364  -2.01498563   0.22620615
 H  -0.82035970  -0.51316873   1.69030306
 H  -0.92230425   1.26589673   1.83549064
Si   2.09213440  -1.02183276   1.77026055
Cl   2.98384689  -1.22744695   3.64113790
Cl   0.91513058  -2.74062925   1.53721590
Cl   3.64781259  -1.16314719   0.38097927
Si   1.86968621   2.15061587   1.60294303
Cl   0.70695918   3.52735271   2.66396108
Cl   3.78054729   2.18244997   2.39633587
Cl   2.02258019   2.95814870  -0.33046706
 27
 Energy -3687.691851776 Gradient 0.00803821
 C  -2.10926493  -0.04192617  -0.72147616
 C  -0.71854745   0.57170683  -0.21039389
 C   0.17229279  -0.24297087  -1.19112122
 C  -0.53172182  -1.49483010  -1.57019176
 C  -0.70836819  -0.30448363  -2.54325183
 C  -1.87699249   0.39493399  -2.11309173
 C  -1.82562751  -1.56335651  -0.76517880
 C  -0.41151740   0.41963453   1.31615445
 C   1.07731137   0.48816782   1.54601799
 H  -3.00391044   0.31525941  -0.19908732
 H  -0.65924317   1.64037757  -0.47339642
 H   1.24740994  -0.08677015  -1.29158399
 H   0.01600243  -2.37576689  -1.90693411
 H  -0.22566218  -0.22291691  -3.51475027
 H  -2.31053480   1.27746988  -2.58838872
 H  -2.62613239  -2.11005808  -1.28806596
 H  -1.66587474  -2.00642644   0.22877645
 H  -0.81802363  -0.53850198   1.67882226
 H  -0.94393279   1.22961119   1.84512299
Si   2.08899692  -1.01632545   1.76720584
Cl   2.98269678  -1.22664756   3.63934370
Cl   0.91530651  -2.74028431   1.53697798
Cl   3.65022135  -1.16590102   0.38214121
Si   1.86576172   2.14402215   1.59531152
Cl   0.70735267   3.52268538   2.66247384
Cl   3.77683151   2.18053451   2.39506611
Cl   2.02501262   2.96460852  -0.33315131
 27
 Energy -3687.693160049 Gradient 0.00268749
 C  -2.10300661  -0.02188817  -0.72104722
 C  -0.72262217   0.58032769  -0.18735718
 C   0.18291309  -0.23236749  -1.15107199
 C  -0.51207634  -1.47950918  -1.53780160
 C  -0.69383059  -0.29380618  -2.52635718
 C  -1.87782595   0.38274536  -2.12667826
 C  -1.81938505  -1.54543967  -0.75219426
 C  -0.42455564   0.39925825   1.32663315
 C   1.07149228   0.48060175   1.52186489
 H  -3.00551628   0.33286410  -0.21041683
 H  -0.65199280   1.65025675  -0.44145036
 H   1.25448804  -0.06089404  -1.26096009
 H   0.03480658  -2.36086118  -1.87534510
 H  -0.19319286  -0.21834843  -3.48909206
 H  -2.35544373   1.21611892  -2.64606064
 H  -2.60982223  -2.09268642  -1.28922583
 H  -1.67747920  -1.98823182   0.24442234
 H  -0.80953995  -0.57343911   1.67294519
 H  -0.95854657   1.18888260   1.88388825
Si   2.08745400  -1.01463683   1.76078502
Cl   2.97853891  -1.22367365   3.63500468
Cl   0.91606508  -2.74120332   1.53610419
Cl   3.65511560  -1.17110696   0.38430273
Si   1.85848454   2.13646964   1.57930269
Cl   0.70576810   3.51044317   2.65807280
Cl   3.76665770   2.17359133   2.38981627
Cl   2.03031430   2.97768915  -0.33914364
 27
 Energy -3687.694010834 Gradient 0.00129300
 C  -2.10544928  -0.01225483  -0.72123278
 C  -0.73831826   0.59843751  -0.16482510
 C   0.18887137  -0.20421565  -1.11342249
 C  -0.48813537  -1.46098498  -1.49960796
 C  -0.67213040  -0.29163788  -2.50633781
 C  -1.86253124   0.37996354  -2.12929759
 C  -1.80963826  -1.53319749  -0.73633672
 C  -0.43354852   0.39360652   1.34242649
 C   1.06722165   0.47369402   1.50845277
 H  -3.01985075   0.33862959  -0.22944927
 H  -0.67444006   1.67131896  -0.40776998
 H   1.25725203  -0.01479521  -1.22221602
 H   0.07260818  -2.34008076  -1.81995518
 H  -0.15469188  -0.21996176  -3.46045668
 H  -2.33894563   1.20410018  -2.66419794
 H  -2.58375326  -2.09087406  -1.28619977
 H  -1.68470347  -1.96909591   0.26533515
 H  -0.80937523  -0.58654715   1.67675901
 H  -0.95908704   1.17144945   1.92335723
Si   2.08704639  -1.01774700   1.75345706
Cl   2.97199801  -1.21945301   3.63064537
Cl   0.91746421  -2.74564363   1.53410669
Cl   3.66117122  -1.17782511   0.38579129
Si   1.85157762   2.13045272   1.56055248
Cl   0.69873964   3.49361332   2.65051499
Cl   3.75486264   2.16193511   2.38008737
Cl   2.03632530   2.99316539  -0.34742478
 27
 Energy -3687.694669205 Gradient 0.00093340
 C  -2.10471129  -0.00719424  -0.71730466
 C  -0.75447519   0.61801685  -0.14178526
 C   0.19726168  -0.17248089  -1.07293208
 C  -0.45857407  -1.43806511  -1.46666083
 C  -0.65546277  -0.28875092  -2.48861280
 C  -1.84783155   0.37899355  -2.12694757
 C  -1.79090783  -1.52433469  -0.72155132
 C  -0.44284622   0.39762967   1.35965132
 C   1.06286275   0.46819735   1.49635499
 H  -3.03092309   0.33415914  -0.24108667
 H  -0.70123497   1.69314034  -0.37699943
 H   1.25875183   0.04444049  -1.19196332
 H   0.11880524  -2.31210902  -1.77123286
 H  -0.11934025  -0.21063439  -3.43183886
 H  -2.31778303   1.20251644  -2.66849750
 H  -2.54784226  -2.09368001  -1.28325939
 H  -1.67737875  -1.95585271   0.28313490
 H  -0.81738900  -0.58446553   1.68939890
 H  -0.95415344   1.17168475   1.95759408
Si   2.08432363  -1.02136131   1.74735677
Cl   2.96402412  -1.21601594   3.62795663
Cl   0.91924866  -2.75293752   1.53152558
Cl   3.66454130  -1.18430357   0.38652059
Si   1.84687292   2.12526902   1.54370328
Cl   0.68755325   3.47721165   2.64033361
Cl   3.74733928   2.14933624   2.36774597
Cl   2.04048980   3.00553143  -0.35565539
 27
 Energy -3687.69516751 Gradient 0.00069642
 C  -2.10197644  -0.00740832  -0.71086456
 C  -0.77166642   0.63748407  -0.11814557
 C   0.20799340  -0.13571247  -1.03276785
 C  -0.42338577  -1.40980211  -1.44045191
 C  -0.64435065  -0.28306642  -2.47590029
 C  -1.83720214   0.37666483  -2.12249785
 C  -1.76314896  -1.51887611  -0.70871060
 C  -0.45179927   0.40326065   1.37722452
 C   1.05869473   0.46263389   1.48500550
 H  -3.04050676   0.31806400  -0.24771797
 H  -0.73379375   1.71482282  -0.34585739
 H   1.25783405   0.11805845  -1.17364877
 H   0.17312482  -2.27551408  -1.73232791
 H  -0.09156114  -0.19192929  -3.40835537
 H  -2.30585187   1.19894462  -2.66697131
 H  -2.50133945  -2.10197354  -1.28122785
 H  -1.65525631  -1.94806008   0.29727903
 H  -0.82644634  -0.57984749   1.70366455
 H  -0.94758777   1.17409527   1.99169652
Si   2.07982230  -1.02545794   1.74319289
Cl   2.95488171  -1.21426309   3.62673727
Cl   0.92060376  -2.76105777   1.52950813
Cl   3.66391242  -1.18947347   0.38712676
Si   1.84358068   2.11956671   1.52940938
Cl   0.67718344   3.46330453   2.62873688
Cl   3.74324703   2.13888835   2.35445868
Cl   2.04294714   3.01333045  -0.36384064
 27
 Energy -3687.695710787 Gradient 0.00061242
 C  -2.09797783  -0.01087380  -0.70486002
 C  -0.79179056   0.65536462  -0.09498039
 C   0.22285408  -0.09953120  -0.98344059
 C  -0.38602329  -1.37621412  -1.42337185
 C  -0.64744456  -0.28365692  -2.47590144
 C  -1.83020989   0.37316441  -2.12061694
 C  -1.73051054  -1.51532732  -0.70044787
 C  -0.46250466   0.40909766   1.39307407
 C   1.05429557   0.45557912   1.46787611
 H  -3.04914658   0.29348657  -0.25297777
 H  -0.76992419   1.73427264  -0.31683378
 H   1.24861699   0.20860223  -1.17580373
 H   0.23021237  -2.23242025  -1.70391159
 H  -0.07410659  -0.16865185  -3.39342701
 H  -2.29661356   1.19805659  -2.66291670
 H  -2.44856012  -2.11221612  -1.28430472
 H  -1.62417518  -1.94495134   0.30513760
 H  -0.83643578  -0.57503705   1.71726017
 H  -0.94104755   1.17614227   2.02529899
Si   2.07498037  -1.02963633   1.74052059
Cl   2.94678755  -1.21407105   3.62662708
Cl   0.92090779  -2.76863314   1.52904004
Cl   3.66160156  -1.19266536   0.38773589
Si   1.84134111   2.11343633   1.51769148
Cl   0.67136865   3.45288573   2.61915043
Cl   3.74070275   2.13193858   2.34353090
Cl   2.04415452   3.01689575  -0.37117110
 27
 Energy -3687.696987913 Gradient 0.00089879
 C  -2.09342144  -0.01199737  -0.70190923
 C  -0.81063285   0.66956882  -0.07528210
 C   0.24716409  -0.07450508  -0.91820549
 C  -0.35595151  -1.34210482  -1.41544110
 C  -0.66862831  -0.29776410  -2.49339217
 C  -1.82559445   0.36837172  -2.12524737
 C  -1.70326232  -1.51010192  -0.69611956
 C  -0.47464360   0.41486876   1.40547118
 C   1.05004598   0.44657421   1.44125588
 H  -3.05520249   0.27378668  -0.25991166
 H  -0.79778558   1.74901902  -0.29490994
 H   1.22709665   0.30127136  -1.20253532
 H   0.27353229  -2.19358415  -1.68449490
 H  -0.07487137  -0.15701703  -3.39493132
 H  -2.28988685   1.19672564  -2.66376255
 H  -2.40379493  -2.11730841  -1.29047311
 H  -1.59715300  -1.94171157   0.30827643
 H  -0.84634745  -0.57049936   1.72855792
 H  -0.93397007   1.17752949   2.05648472
Si   2.07161570  -1.03364822   1.73854949
Cl   2.94181999  -1.21406770   3.62654768
Cl   0.92076807  -2.77384761   1.52976068
Cl   3.65984240  -1.19375721   0.38854381
Si   1.84005473   2.10862841   1.50846031
Cl   0.66992988   3.44572880   2.61400833
Cl   3.73856185   2.12820712   2.33766182
Cl   2.04471145   3.01810223  -0.37583064
 27
 Energy -3687.700299325 Gradient 0.00272445
 C  -2.08847994  -0.01001188  -0.70149120
 C  -0.82535872   0.68017436  -0.06089666
 C   0.27916369  -0.05903654  -0.84231385
 C  -0.33432208  -1.31073924  -1.41166666
 C  -0.69719428  -0.31849484  -2.51843196
 C  -1.82281963   0.36335984  -2.13400913
 C  -1.68357655  -1.50334415  -0.69382879
 C  -0.48774700   0.41968416   1.41532085
 C   1.04441066   0.43527728   1.40619970
 H  -3.05839032   0.26260810  -0.26770695
 H  -0.81424367   1.75978052  -0.27987052
 H   1.19192009   0.38284769  -1.23647458
 H   0.30120845  -2.16257588  -1.67024248
 H  -0.09221287  -0.16086842  -3.41077861
 H  -2.28896176   1.19182587  -2.67102755
 H  -2.37186474  -2.11662535  -1.29602924
 H  -1.57860837  -1.93740184   0.30953699
 H  -0.85668880  -0.56695478   1.73734887
 H  -0.92702155   1.17883844   2.08333113
Si   2.07027414  -1.03870254   1.73694157
Cl   2.93903032  -1.21339506   3.62630169
Cl   0.92078931  -2.77689298   1.53075673
Cl   3.65877592  -1.19361078   0.38936548
Si   1.83951471   2.10612693   1.50089582
Cl   0.67031063   3.44041249   2.61178835
Cl   3.73637232   2.12624796   2.33529360
Cl   2.04523879   3.01873137  -0.37830948
 27
 Energy -3687.705570566 Gradient 0.00553740
 C  -2.08401429  -0.00709004  -0.70220939
 C  -0.83868704   0.69080113  -0.04777966
 C   0.31267708  -0.04111818  -0.76717416
 C  -0.31487609  -1.28114644  -1.40576266
 C  -0.71982676  -0.33732417  -2.53909090
 C  -1.82177410   0.35737335  -2.14288623
 C  -1.66581003  -1.49602058  -0.69106206
 C  -0.50150657   0.42396527   1.42597066
 C   1.03587386   0.42091855   1.36171417
 H  -3.06024162   0.25520220  -0.27503783
 H  -0.83018554   1.77098514  -0.26418832
 H   1.15358119   0.45261414  -1.25387486
 H   0.32378845  -2.13480362  -1.65493336
 H  -0.11889798  -0.17899490  -3.43511114
 H  -2.29433427   1.18139483  -2.68099798
 H  -2.34377113  -2.11443121  -1.29950679
 H  -1.56381192  -1.93177754   0.31191701
 H  -0.86819910  -0.56387892   1.74637510
 H  -0.91669162   1.17980614   2.11171097
Si   2.06999144  -1.04551988   1.73523409
Cl   2.93630578  -1.21204113   3.62588480
Cl   0.92095473  -2.77954682   1.53189841
Cl   3.65774110  -1.19299319   0.39015536
Si   1.83888014   2.10493440   1.49227586
Cl   0.67122653   3.43486194   2.61027083
Cl   3.73366267   2.12426912   2.33380949
Cl   2.04587912   3.01941948  -0.38006685
 27
 Energy -3687.71202712 Gradient 0.00747517
 C  -2.07957653  -0.00389615  -0.70315783
 C  -0.85214397   0.70289890  -0.03521881
 C   0.34269085  -0.01658788  -0.69638174
 C  -0.29499720  -1.25313472  -1.39508301
 C  -0.73333082  -0.35192793  -2.55145653
 C  -1.82147191   0.35024251  -2.15095988
 C  -1.64794055  -1.48836994  -0.68662283
 C  -0.51480781   0.42745907   1.43791417
 C   1.02446606   0.40333070   1.30804923
 H  -3.06203923   0.24891075  -0.28281814
 H  -0.84950437   1.78419183  -0.24592964
 H   1.11861868   0.51276400  -1.25315704
 H   0.34824196  -2.10727501  -1.63426314
 H  -0.14569892  -0.20439842  -3.45881486
 H  -2.30518312   1.16458195  -2.69445419
 H  -2.31552377  -2.11225143  -1.30077713
 H  -1.55035897  -1.92474808   0.31671829
 H  -0.88189021  -0.56035194   1.75725053
 H  -0.90217613   1.18209740   2.13989151
Si   2.07019007  -1.05362592   1.73333040
Cl   2.93304069  -1.20993208   3.62523466
Cl   0.92113259  -2.78252573   1.53318801
Cl   3.65673284  -1.19223357   0.39073171
Si   1.83759216   2.10331948   1.48179339
Cl   0.67245428   3.42847422   2.60889747
Cl   3.73013601   2.12183865   2.33252092
Cl   2.04676726   3.02057419  -0.38192122
 27
 Energy -3687.719312963 Gradient 0.00867546
 C  -2.07562817  -0.00081193  -0.70396894
 C  -0.86647825   0.71686802  -0.02256212
 C   0.36806545   0.01411466  -0.63125201
 C  -0.27429321  -1.22673659  -1.37967788
 C  -0.73782054  -0.36215316  -2.55586766
 C  -1.82089612   0.34219858  -2.15771685
 C  -1.62975292  -1.48055110  -0.68004154
 C  -0.52668829   0.43039965   1.45028335
 C   1.01068850   0.38329898   1.24872374
 H  -3.06376337   0.24287963  -0.29056192
 H  -0.87323642   1.79960896  -0.22521208
 H   1.09046327   0.56500634  -1.23988913
 H   0.37516808  -2.07980137  -1.60831715
 H  -0.16585803  -0.23145916  -3.47625231
 H  -2.31804413   1.14261234  -2.70939200
 H  -2.28605323  -2.11052513  -1.30007442
 H  -1.53812288  -1.91631357   0.32423877
 H  -0.89676427  -0.55649030   1.76845119
 H  -0.88331894   1.18413413   2.16798878
Si   2.07042389  -1.06206667   1.73098921
Cl   2.92910229  -1.20704626   3.62430405
Cl   0.92130219  -2.78618755   1.53461581
Cl   3.65594731  -1.19156573   0.39091046
Si   1.83538214   2.10034670   1.46981607
Cl   0.67387593   3.42120408   2.60741417
Cl   3.72570004   2.11884249   2.33118846
Cl   2.04797921   3.02246668  -0.38428027
 27
 Energy -3687.726923538 Gradient 0.00949172
 C  -2.07229818   0.00223674  -0.70423837
 C  -0.88165905   0.73274584  -0.00965147
 C   0.38871740   0.04918541  -0.57178872
 C  -0.25249950  -1.20065860  -1.36000181
 C  -0.73499887  -0.36899514  -2.55426707
 C  -1.81882017   0.33338764  -2.16304264
 C  -1.61077601  -1.47227802  -0.67104664
 C  -0.53678202   0.43256094   1.46289561
 C   0.99515179   0.36261841   1.18925580
 H  -3.06657003   0.23631440  -0.29885939
 H  -0.90050391   1.81702247  -0.20223549
 H   1.06827506   0.61179397  -1.22011986
 H   0.40570303  -2.05061585  -1.57710211
 H  -0.17680609  -0.25670901  -3.48567719
 H  -2.33086838   1.11713187  -2.72539273
 H  -2.25427156  -2.10956961  -1.29698601
 H  -1.52613319  -1.90657059   0.33462912
 H  -0.91185435  -0.55261993   1.77960678
 H  -0.86169078   1.18545122   2.19530177
Si   2.07035417  -1.07029738   1.72775789
Cl   2.92430012  -1.20327697   3.62294887
Cl   0.92146275  -2.79084840   1.53620213
Cl   3.65555991  -1.19119131   0.39052709
Si   1.83209597   2.09562380   1.45652274
Cl   0.67543673   3.41293033   2.60564429
Cl   3.72020736   2.11510752   2.32958129
Cl   2.04958991   3.02526688  -0.38741212
 27
 Energy -3687.733841605 Gradient 0.00934915
 C  -2.06860617   0.00532571  -0.70355524
 C  -0.89775753   0.75098297   0.00469880
 C   0.40319181   0.08780604  -0.52122281
 C  -0.22807453  -1.17240343  -1.33553970
 C  -0.72540289  -0.37294342  -2.54728022
 C  -1.81525479   0.32347207  -2.16719539
 C  -1.58909902  -1.46285287  -0.65853825
 C  -0.54527790   0.43405879   1.47630374
 C   0.97908982   0.34365017   1.13773259
 H  -3.06961176   0.22816075  -0.30761973
 H  -0.93137799   1.83684073  -0.17604079
 H   1.05190495   0.65655117  -1.19660490
 H   0.44257720  -2.01616997  -1.54012381
 H  -0.17823472  -0.27952248  -3.48751910
 H  -2.34329640   1.08638543  -2.74283568
 H  -2.21731392  -2.10952513  -1.29033328
 H  -1.51208929  -1.89416459   0.34898512
 H  -0.92720376  -0.54847988   1.79225443
 H  -0.83832392   1.18575844   2.22232730
Si   2.06954624  -1.07843681   1.72273360
Cl   2.91791058  -1.19814422   3.62078913
Cl   0.92165696  -2.79721628   1.53812451
Cl   3.65576117  -1.19128391   0.38937158
Si   1.82751580   2.08878218   1.44151893
Cl   0.67716586   3.40287887   2.60325488
Cl   3.71303413   2.11009191   2.32725534
Cl   2.05180451   3.02933586  -0.39181039
 27
 Energy -3687.73918845 Gradient 0.00778098
 C  -2.06433556   0.00827664  -0.70095477
 C  -0.91412234   0.77148336   0.02099541
 C   0.40867950   0.12842869  -0.48653078
 C  -0.19969326  -1.14035178  -1.30662467
 C  -0.70916372  -0.37378808  -2.53528443
 C  -1.80956039   0.31199603  -2.16950208
 C  -1.56255159  -1.45167941  -0.64113098
 C  -0.55217207   0.43554317   1.49087571
 C   0.96543728   0.33076342   1.10628621
 H  -3.07288219   0.21717322  -0.31594425
 H  -0.96483877   1.85871392  -0.14632655
 H   1.03979850   0.70352420  -1.17369707
 H   0.48591941  -1.97581223  -1.49663103
 H  -0.16828215  -0.29712563  -3.48070105
 H  -2.35460694   1.05038829  -2.76117495
 H  -2.17242155  -2.11136345  -1.27735322
 H  -1.49219848  -1.87740927   0.36909071
 H  -0.94142988  -0.54412252   1.80564823
 H  -0.81821282   1.18501080   2.24863524
Si   2.06736206  -1.08653218   1.71510461
Cl   2.90879450  -1.19093343   3.61719076
Cl   0.92209936  -2.80628326   1.54056650
Cl   3.65663303  -1.19209651   0.38709074
Si   1.82180365   2.08002248   1.42511289
Cl   0.67889681   3.39005787   2.59975716
Cl   3.70344929   2.10290253   2.32350138
Cl   2.05488024   3.03500002  -0.39800820
 27
 Energy -3687.743268397 Gradient 0.00583264
 C  -2.05960597   0.00993843  -0.69572947
 C  -0.92906623   0.79178980   0.03813743
 C   0.40708051   0.16801668  -0.46638910
 C  -0.16942779  -1.10703397  -1.27701353
 C  -0.68816210  -0.37133798  -2.52013509
 C  -1.80137631   0.30003382  -2.16845804
 C  -1.53181530  -1.43999718  -0.61962329
 C  -0.55772751   0.43840798   1.50570483
 C   0.95613624   0.32697841   1.09685224
 H  -3.07563788   0.20266244  -0.32209799
 H  -0.99754209   1.87989309  -0.11634209
 H   1.02901760   0.75228651  -1.15416591
 H   0.53295262  -1.93202351  -1.45228094
 H  -0.14854504  -0.30567924  -3.46711099
 H  -2.36222742   1.01374598  -2.77526043
 H  -2.12234094  -2.11597806  -1.25678711
 H  -1.46447446  -1.85765444   0.39379189
 H  -0.95183585  -0.53947812   1.81885186
 H  -0.80606585   1.18436144   2.27247820
Si   2.06337990  -1.09381911   1.70542669
Cl   2.89634676  -1.18140697   3.61179227
Cl   0.92326674  -2.81811134   1.54337321
Cl   3.65761080  -1.19387254   0.38348207
Si   1.81619230   2.07142527   1.40942648
Cl   0.67991617   3.37477708   2.59502508
Cl   3.69203983   2.09300672   2.31787731
Cl   2.05878672   3.04186779  -0.40558273
 27
 Energy -3687.746371157 Gradient 0.00447199
 C  -2.05338194   0.00854832  -0.68769060
 C  -0.94153946   0.80939714   0.05502720
 C   0.40446403   0.20469878  -0.45051089
 C  -0.13963010  -1.07597015  -1.25033075
 C  -0.66569889  -0.36570010  -2.50358254
 C  -1.79188862   0.28910181  -2.16325375
 C  -1.49884421  -1.43035674  -0.59697502
 C  -0.56221024   0.44372642   1.52043853
 C   0.94978252   0.32982252   1.09742023
 H  -3.07602504   0.18409806  -0.32360684
 H  -1.02788010   1.89754667  -0.08946808
 H   1.01895509   0.79916396  -1.13608163
 H   0.57997647  -1.88874960  -1.41327539
 H  -0.12451111  -0.30355684  -3.44988660
 H  -2.36543832   0.98268942  -2.78147538
 H  -2.07177838  -2.12330843  -1.23181829
 H  -1.43035525  -1.83896020   0.41960893
 H  -0.95853397  -0.53312171   1.83292181
 H  -0.79964239   1.18672298   2.29316263
Si   2.05752247  -1.09944972   1.69472191
Cl   2.88030050  -1.16954436   3.60490581
Cl   0.92586830  -2.83186310   1.54618215
Cl   3.65746996  -1.19676208   0.37854889
Si   1.81190468   2.06549645   1.39610224
Cl   0.67915057   3.35867563   2.58958968
Cl   3.68087211   2.08028493   2.31048180
Cl   2.06346644   3.04929548  -0.41332475
 27
 Energy -3687.748624355 Gradient 0.00333655
 C  -2.04545205   0.00267952  -0.67673702
 C  -0.95185514   0.82332372   0.07145311
 C   0.40314057   0.23757932  -0.43521262
 C  -0.11051192  -1.04818792  -1.22783380
 C  -0.64417907  -0.35715373  -2.48686021
 C  -1.78248499   0.27969157  -2.15371906
 C  -1.46415663  -1.42463290  -0.57570622
 C  -0.56522241   0.45106685   1.53533151
 C   0.94495240   0.33552953   1.10050680
 H  -3.07336603   0.16011930  -0.31924435
 H  -1.05650720   1.91060159  -0.06707558
 H   1.01063934   0.84188565  -1.11810602
 H   0.62554350  -1.84796724  -1.38232693
 H  -0.10081414  -0.29192413  -3.43169113
 H  -2.36683411   0.95803094  -2.77855808
 H  -2.02142284  -2.13312352  -1.20726755
 H  -1.39140025  -1.82549133   0.44321815
 H  -0.96317964  -0.52422808   1.84989742
 H  -0.79373129   1.19329926   2.31103402
Si   2.04987143  -1.10330304   1.68339028
Cl   2.86003231  -1.15483223   3.59739713
Cl   0.93077852  -2.84680805   1.54865141
Cl   3.65491649  -1.20096418   0.37216903
Si   1.80941427   2.06293440   1.38530823
Cl   0.67589867   3.34374952   2.58421489
Cl   3.67234341   2.06473378   2.30164847
Cl   2.06915032   3.05734526  -0.42002208
 27
 Energy -3687.750230289 Gradient 0.00239364
 C  -2.03695196  -0.00830189  -0.66335699
 C  -0.96043466   0.83197320   0.08716679
 C   0.40248585   0.26582196  -0.42204895
 C  -0.08273555  -1.02383368  -1.21113278
 C  -0.62590981  -0.34608890  -2.47159038
 C  -1.77553833   0.27090882  -2.14068195
 C  -1.42856704  -1.42385070  -0.55783812
 C  -0.56628589   0.45821212   1.54967381
 C   0.94181239   0.34245336   1.10422646
 H  -3.06875942   0.12960921  -0.30901462
 H  -1.08384044   1.91762897  -0.04814299
 H   1.00157009   0.88149272  -1.10194127
 H   0.66939733  -1.80942593  -1.36187723
 H  -0.08184300  -0.27205213  -3.41535839
 H  -2.37040997   0.93839678  -2.76734121
 H  -1.97184472  -2.14569588  -1.18637697
 H  -1.34846678  -1.81939008   0.46223735
 H  -0.96480548  -0.51529934   1.86880528
 H  -0.78757960   1.20145813   2.32607400
Si   2.04110133  -1.10569073   1.67220464
Cl   2.83485652  -1.13634097   3.59082625
Cl   0.93881603  -2.86241966   1.55030805
Cl   3.64898751  -1.20683792   0.36390437
Si   1.80904746   2.06319490   1.37757018
Cl   0.67073190   3.33204616   2.57948762
Cl   3.66851205   2.04698102   2.29176619
Cl   2.07623426   3.06648042  -0.42418808
 27
 Energy -3687.751325114 Gradient 0.00165284
 C  -2.02960175  -0.02515510  -0.64909466
 C  -0.96886960   0.83442783   0.10127412
 C   0.40128131   0.28954793  -0.41255054
 C  -0.05792147  -1.00287529  -1.20215642
 C  -0.61415019  -0.33359581  -2.46014699
 C  -1.77422295   0.26156557  -2.12617439
 C  -1.39358923  -1.42847511  -0.54532966
 C  -0.56571856   0.46228550   1.56210495
 C   0.94016848   0.34941860   1.10665996
 H  -3.06370594   0.09188170  -0.29396381
 H  -1.11190292   1.91787564  -0.03190733
 H   0.99082891   0.91780269  -1.08903364
 H   0.70964218  -1.77337043  -1.35405711
 H  -0.07178832  -0.24611836  -3.40373645
 H  -2.38090270   0.92066796  -2.75029897
 H  -1.92450837  -2.16155921  -1.17142504
 H  -1.30305647  -1.82136400   0.47458034
 H  -0.96243069  -0.51014328   1.88692592
 H  -0.78187179   1.20709144   2.33813065
Si   2.03235783  -1.10685295   1.66211466
Cl   2.80487359  -1.11371116   3.58713703
Cl   0.95016891  -2.87788531   1.55073288
Cl   3.63995528  -1.21457514   0.35392054
Si   1.81093984   2.06509051   1.37364300
Cl   0.66619299   3.32503175   2.57590978
Cl   3.67047618   2.02878538   2.28141036
Cl   2.08502192   3.07696309  -0.42414737
 27
 Energy -3687.752093089 Gradient 0.00114134
 C  -2.02508050  -0.04737177  -0.63574870
 C  -0.97878710   0.83106535   0.11259439
 C   0.39793107   0.30931532  -0.40810608
 C  -0.03785261  -0.98476087  -1.20170535
 C  -0.61128462  -0.32104460  -2.45410526
 C  -1.78099998   0.25032425  -2.11252954
 C  -1.36106604  -1.43798904  -0.53914456
 C  -0.56461236   0.46230940   1.57128860
 C   0.93908322   0.35548767   1.10601673
 H  -3.05992874   0.04765257  -0.27620854
 H  -1.14256093   1.91178889  -0.01823132
 H   0.97662592   0.95151232  -1.08077482
 H   0.74451919  -1.73924875  -1.35919698
 H  -0.07399875  -0.21794298  -3.39901275
 H  -2.40189961   0.90172190  -2.73077453
 H  -1.88093695  -2.18038929  -1.16355005
 H  -1.25739357  -1.83058033   0.47940886
 H  -0.95678611  -0.51019522   1.90189129
 H  -0.77790808   1.20841679   2.34668536
Si   2.02458095  -1.10688370   1.65331906
Cl   2.77115937  -1.08792777   3.58707222
Cl   0.96408308  -2.89220774   1.55011396
Cl   3.63048004  -1.22338450   0.34423467
Si   1.81492780   2.06693659   1.37302190
Cl   0.66567639   3.32236384   2.57446953
Cl   3.67730034   2.01241203   2.27147187
Cl   2.09530893   3.08840382  -0.41955721
 27
 Energy -3687.752642475 Gradient 0.00081410
 C  -2.02414299  -0.07275729  -0.62407879
 C  -0.99053321   0.82382895   0.12067907
 C   0.39184620   0.32586715  -0.40871003
 C  -0.02335833  -0.96864936  -1.20851325
 C  -0.61738959  -0.30922706  -2.45317428
 C  -1.79582221   0.23702224  -2.10072355
 C  -1.33225553  -1.45019120  -0.53821076
 C  -0.56373453   0.45979284   1.57674635
 C   0.93780053   0.36021702   1.10144679
 H  -3.05818949  -0.00010040  -0.25709690
 H  -1.17498592   1.90137653  -0.00818393
 H   0.95846060   0.98311283  -1.07714439
 H   0.77263444  -1.70695727  -1.37499573
 H  -0.08830654  -0.18989349  -3.40078919
 H  -2.43300140   0.88008415  -2.71103831
 H  -1.84208878  -2.20090651  -1.16096856
 H  -1.21335514  -1.84349796   0.47821665
 H  -0.94997989  -0.51310946   1.91378724
 H  -0.77453324   1.20750661   2.35129577
Si   2.01807199  -1.10605240   1.64553038
Cl   2.73508011  -1.06056634   3.58941733
Cl   0.97926657  -2.90481676   1.54878243
Cl   3.62401329  -1.23135836   0.33791865
Si   1.82038109   2.06757790   1.37370791
Cl   0.67098484   3.32113527   2.57646649
Cl   3.68675616   1.99883402   2.26247163
Cl   2.10623287   3.09990088  -0.41232352
 27
 Energy -3687.753060917 Gradient 0.00059366
 C  -2.02601649  -0.09834788  -0.61368343
 C  -1.00334601   0.81534301   0.12589816
 C   0.38350581   0.34025959  -0.41326574
 C  -0.01423607  -0.95404262  -1.21965750
 C  -0.63052766  -0.29873533  -2.45552411
 C  -1.81628010   0.22280876  -2.09045724
 C  -1.30776453  -1.46269488  -0.54011319
 C  -0.56291788   0.45669739   1.57901043
 C   0.93627059   0.36410436   1.09334421
 H  -3.05798956  -0.04696399  -0.23732488
 H  -1.20768344   1.88941315  -0.00115456
 H   0.93852112   1.01155504  -1.07759742
 H   0.79396412  -1.67667042  -1.39652538
 H  -0.11167899  -0.16398810  -3.40672318
 H  -2.47041355   0.85725152  -2.69182834
 H  -1.80908340  -2.22077402  -1.16086433
 H  -1.17258977  -1.85678926   0.47382621
 H  -0.94297683  -0.51657592   1.92267049
 H  -0.77120684   1.20618029   2.35258351
Si   2.01246798  -1.10430257   1.63817064
Cl   2.69733194  -1.03316893   3.59277215
Cl   0.99457090  -2.91550459   1.54640285
Cl   3.62317269  -1.23670832   0.33766186
Si   1.82675374   2.06702064   1.37383017
Cl   0.68150342   3.31805744   2.58270335
Cl   3.69725084   1.98719565   2.25357851
Cl   2.11625439   3.11034995  -0.40531734
 27
 Energy -3687.753353827 Gradient 0.00043703
 C  -2.02974614  -0.12108202  -0.60414162
 C  -1.01578782   0.80738360   0.12945793
 C   0.37402691   0.35255424  -0.41988567
 C  -0.00996060  -0.94112997  -1.23205448
 C  -0.64788470  -0.29013349  -2.45917772
 C  -1.83908933   0.20940197  -2.08129748
 C  -1.28854409  -1.47351485  -0.54265244
 C  -0.56182413   0.45392312   1.57935737
 C   0.93483058   0.36731558   1.08307155
 H  -3.05885512  -0.08840514  -0.21795855
 H  -1.23781783   1.87811866   0.00446284
 H   0.91675534   1.03672758  -1.08135125
 H   0.80834366  -1.64979898  -1.41951269
 H  -0.14016418  -0.14267582  -3.41449090
 H  -2.50914419   0.83537662  -2.67393446
 H  -1.78312404  -2.23792748  -1.16105522
 H  -1.13755414  -1.86815944   0.46871611
 H  -0.93582833  -0.51954693   1.92968468
 H  -0.76711323   1.20525258   2.35199949
Si   2.00788934  -1.10174603   1.63133770
Cl   2.65798548  -1.00719415   3.59696101
Cl   1.00958072  -2.92407602   1.54167516
Cl   3.62919712  -1.23900726   0.34500705
Si   1.83359767   2.06545309   1.37243088
Cl   0.69538365   3.31183931   2.59239665
Cl   3.70846436   1.97652713   2.24281156
Cl   2.12326379   3.11940611  -0.40031967
 27
 Energy -3687.753594119 Gradient 0.00033148
 C  -2.03435096  -0.13867011  -0.59576920
 C  -1.02613231   0.80113392   0.13174632
 C   0.36508602   0.36171452  -0.42710446
 C  -0.00983351  -0.93114865  -1.24339379
 C  -0.66621775  -0.28372715  -2.46273685
 C  -1.86071505   0.19874878  -2.07330606
 C  -1.27562183  -1.48163134  -0.54470767
 C  -0.56015042   0.45175586   1.57855431
 C   0.93391348   0.36931371   1.07234028
 H  -3.06034518  -0.12031957  -0.20040166
 H  -1.26154856   1.86908177   0.00806931
 H   0.89799281   1.05577896  -1.08638581
 H   0.81550920  -1.62918654  -1.44028485
 H  -0.16848029  -0.12642648  -3.42170952
 H  -2.54384036   0.81790012  -2.65816594
 H  -1.76574815  -2.25074168  -1.16087172
 H  -1.11113885  -1.87647652   0.46437902
 H  -0.92940232  -0.52169280   1.93446349
 H  -0.76200959   1.20460456   2.35064315
Si   2.00476656  -1.09906341   1.62599177
Cl   2.61748042  -0.98373172   3.60272563
Cl   1.02447977  -2.93101481   1.53350743
Cl   3.64080178  -1.23822604   0.35931606
Si   1.83995632   2.06298018   1.36959384
Cl   0.71154419   3.30316744   2.60454097
Cl   3.72031997   1.96614720   2.22825536
Cl   2.12511584   3.12765954  -0.39750585
 27
 Energy -3687.753767688 Gradient 0.00025481
 C  -2.03863718  -0.15068637  -0.58884626
 C  -1.03352873   0.79689939   0.13299130
 C   0.35783409   0.36796535  -0.43392523
 C  -0.01211201  -0.92408580  -1.25290661
 C  -0.68287317  -0.27925181  -2.46582207
 C  -1.87897759   0.19124770  -2.06679259
 C  -1.26785692  -1.48701381  -0.54611950
 C  -0.55797405   0.45022720   1.57710911
 C   0.93375207   0.37024917   1.06234087
 H  -3.06174259  -0.14218997  -0.18571489
 H  -1.27832904   1.86287436   0.01082953
 H   0.88343329   1.06873630  -1.09209933
 H   0.81771640  -1.61468550  -1.45738883
 H  -0.19375142  -0.11532942  -3.42812252
 H  -2.57185000   0.80551117  -2.64528251
 H  -1.75571835  -2.25939847  -1.15997695
 H  -1.09233381  -1.88201506   0.46100406
 H  -0.92394989  -0.52305068   1.93717576
 H  -0.75654108   1.20416645   2.34895632
Si   2.00281955  -1.09658940   1.62246728
Cl   2.57697396  -0.96349477   3.60996319
Cl   1.03880374  -2.93669541   1.52253216
Cl   3.65595973  -1.23578872   0.37878480
Si   1.84555967   2.06029945   1.36580254
Cl   0.72880340   3.29288818   2.61843487
Cl   3.73277477   1.95615890   2.20934791
Cl   2.12067683   3.13571169  -0.39632250
 27
 Energy -3687.753902362 Gradient 0.00020465
 C  -2.04217989  -0.15849941  -0.58392801
 C  -1.03831137   0.79432360   0.13282418
 C   0.35262019   0.37164793  -0.44027880
 C  -0.01523530  -0.92007042  -1.26012618
 C  -0.69638133  -0.27750515  -2.46850980
 C  -1.89296671   0.18560292  -2.06236077
 C  -1.26375850  -1.49051627  -0.54664579
 C  -0.55550383   0.44995979   1.57488291
 C   0.93421832   0.37078979   1.05326635
 H  -3.06292754  -0.15602946  -0.17476390
 H  -1.28930730   1.85889361   0.01132777
 H   0.87299545   1.07646442  -1.09836774
 H   0.81705187  -1.60620407  -1.46997910
 H  -0.21369460  -0.10985472  -3.43341146
 H  -2.59264371   0.79642122  -2.63631964
 H  -1.75092203  -2.26547414  -1.15778968
 H  -1.08031784  -1.88501913   0.45926470
 H  -0.91946757  -0.52278043   1.93868673
 H  -0.75069221   1.20510721   2.34648799
Si   2.00141116  -1.09430326   1.62049289
Cl   2.53805021  -0.94581444   3.61767332
Cl   1.05158972  -2.94099305   1.51073266
Cl   3.67250245  -1.23424045   0.40160333
Si   1.85042320   2.05790622   1.36136420
Cl   0.74724880   3.28191013   2.63391838
Cl   3.74569878   1.94704666   2.18661480
Cl   2.10994048   3.14470336  -0.39606179
 27
 Energy -3687.754023514 Gradient 0.00016272
 C  -2.04403819  -0.16290686  -0.58247924
 C  -1.04032011   0.79320783   0.12997352
 C   0.35000269   0.37323054  -0.44682969
 C  -0.01744310  -0.91866781  -1.26614550
 C  -0.70509779  -0.27818312  -2.47199331
 C  -1.90164997   0.18114372  -2.06150387
 C  -1.26154787  -1.49261289  -0.54775359
 C  -0.55311568   0.45106028   1.57085170
 C   0.93525888   0.37098021   1.04487578
 H  -3.06313774  -0.16346577  -0.16921502
 H  -1.29432056   1.85700573   0.00808727
 H   0.86752289   1.07981241  -1.10534764
 H   0.81594365  -1.60252437  -1.47919186
 H  -0.22662323  -0.10916053  -3.43875238
 H  -2.60539386   0.78963230  -2.63292703
 H  -1.74879666  -2.26920992  -1.15673434
 H  -1.07320052  -1.88610386   0.45765485
 H  -0.91681582  -0.52060546   1.93802214
 H  -0.74558944   1.20787244   2.34152164
Si   1.99992401  -1.09258377   1.62012036
Cl   2.50282008  -0.92950594   3.62526683
Cl   1.06102163  -2.94423338   1.50133317
Cl   3.68794561  -1.23517671   0.42545619
Si   1.85445743   2.05596373   1.35694471
Cl   0.76681675   3.26926004   2.65258559
Cl   3.75914061   1.93946232   2.15979880
Cl   2.09285670   3.15613327  -0.39515228
 27
 Energy -3687.754133925 Gradient 0.00012986
 C  -2.04319849  -0.16472692  -0.58631297
 C  -1.03949531   0.79350461   0.12325453
 C   0.35077883   0.37349591  -0.45392113
 C  -0.01678501  -0.91906226  -1.27187290
 C  -0.70691356  -0.28062612  -2.47748016
 C  -1.90351553   0.17759244  -2.06590488
 C  -1.25916340  -1.49352908  -0.55094541
 C  -0.55156381   0.45347130   1.56424752
 C   0.93651174   0.37111932   1.03722745
 H  -3.06160207  -0.16580039  -0.17130508
 H  -1.29460458   1.85684476  -0.00013996
 H   0.86831082   1.07971793  -1.11288917
 H   0.81694224  -1.60240131  -1.48542461
 H  -0.23005624  -0.11216670  -3.44513313
 H  -2.60884877   0.78453628  -2.63704017
 H  -1.74648375  -2.27150580  -1.15811149
 H  -1.06884740  -1.88546318   0.45471984
 H  -0.91644652  -0.51687969   1.93383244
 H  -0.74255366   1.21201120   2.33360008
Si   1.99790435  -1.09134996   1.62121135
Cl   2.47464684  -0.91348481   3.63174460
Cl   1.06493404  -2.94562278   1.49793234
Cl   3.69893011  -1.24008937   0.44635522
Si   1.85742933   2.05448538   1.35373979
Cl   0.78707861   3.25395688   2.67607183
Cl   3.77305008   1.93315943   2.12955602
Cl   2.06943972   3.17040494  -0.39181071
 27
 Energy -3687.754224833 Gradient 0.00012172
 C  -2.03943236  -0.16500608  -0.59558806
 C  -1.03629719   0.79459260   0.11275843
 C   0.35486612   0.37248616  -0.46106199
 C  -0.01243031  -0.92137462  -1.27701709
 C  -0.70110408  -0.28543957  -2.48484578
 C  -1.89814729   0.17379613  -2.07576729
 C  -1.25578711  -1.49393538  -0.55622881
 C  -0.55148823   0.45721598   1.55525027
 C   0.93757335   0.37160991   1.03108871
 H  -3.05822678  -0.16479010  -0.18152971
 H  -1.29073703   1.85771646  -0.01366658
 H   0.87444675   1.07712466  -1.12020709
 H   0.82121139  -1.60558482  -1.48817991
 H  -0.22319210  -0.11935222  -3.45237472
 H  -2.60279448   0.77942475  -2.64910043
 H  -1.74256855  -2.27320708  -1.16215546
 H  -1.06665959  -1.88365198   0.45051684
 H  -0.91864027  -0.51154400   1.92677143
 H  -0.74262876   1.21787008   2.32250531
Si   1.99500056  -1.09005372   1.62366334
Cl   2.45655471  -0.89846392   3.63667816
Cl   1.06261587  -2.94470340   1.50232382
Cl   3.70386899  -1.24916223   0.46183705
Si   1.85907049   2.05370319   1.35181586
Cl   0.80676509   3.23693629   2.70270438
Cl   3.78637119   1.92852777   2.09775291
Cl   2.04125083   3.18742232  -0.38565755
 27
 Energy -3687.754327909 Gradient 0.00012851
 C  -2.03357116  -0.16538171  -0.60844378
 C  -1.03203019   0.79554224   0.10018040
 C   0.36083832   0.37098274  -0.46794845
 C  -0.00493625  -0.92438511  -1.28202167
 C  -0.68984789  -0.29106250  -2.49342752
 C  -1.88794806   0.16959909  -2.08903422
 C  -1.25066408  -1.49456792  -0.56338496
 C  -0.55256885   0.46155221   1.54511059
 C   0.93820181   0.37230095   1.02615084
 H  -3.05350325  -0.16359238  -0.19718629
 H  -1.28531112   1.85846603  -0.03009577
 H   0.88284286   1.07428425  -1.12664238
 H   0.82890981  -1.60961315  -1.48918554
 H  -0.20902380  -0.12755366  -3.45996392
 H  -2.59071111   0.77412037  -2.66590141
 H  -1.73606067  -2.27517714  -1.16870647
 H  -1.06462363  -1.88177747   0.44491369
 H  -0.92276939  -0.50530613   1.91861539
 H  -0.74493820   1.22486504   2.30943525
Si   1.99149176  -1.08897174   1.62705526
Cl   2.44722959  -0.88416394   3.64018599
Cl   1.05599815  -2.94247907   1.51309254
Cl   3.70374733  -1.26046702   0.47208725
Si   1.85944838   2.05342380   1.35110602
Cl   0.82484670   3.21945382   2.73008033
Cl   3.79823448   1.92560149   2.06621730
Cl   2.01123942   3.20533566  -0.37743028
 27
 Energy -3687.754467537 Gradient 0.00014853
 C  -2.02663624  -0.16600386  -0.62313215
 C  -1.02752575   0.79649275   0.08663373
 C   0.36762245   0.36946949  -0.47445081
 C   0.00418151  -0.92750715  -1.28696559
 C  -0.67593366  -0.29693107  -2.50253664
 C  -1.87536396   0.16518253  -2.10386466
 C  -1.24447067  -1.49528357  -0.57147558
 C  -0.55463253   0.46636028   1.53448622
 C   0.93821578   0.37305622   1.02210509
 H  -3.04804923  -0.16254861  -0.21557183
 H  -1.27963048   1.85910184  -0.04807145
 H   0.89312402   1.07103511  -1.13231353
 H   0.83840693  -1.61372269  -1.48929778
 H  -0.19138780  -0.13601332  -3.46764313
 H  -2.57571213   0.76848894  -2.68486487
 H  -1.72784228  -2.27742497  -1.17642602
 H  -1.06228031  -1.87970829   0.43858247
 H  -0.92846805  -0.49818469   1.91042086
 H  -0.74871817   1.23282281   2.29526789
Si   1.98759358  -1.08779601   1.63078044
Cl   2.44289045  -0.87006805   3.64275946
Cl   1.04759630  -2.93959920   1.52717248
Cl   3.70019918  -1.27221060   0.47843311
Si   1.85915790   2.05320416   1.35142019
Cl   0.84213123   3.20185164   2.75739431
Cl   3.80893574   1.92337360   2.03564887
Cl   1.98113368   3.22265313  -0.36773200
 27
 Energy -3687.754603211 Gradient 0.00017377
 C  -2.01916290  -0.16610372  -0.63839070
 C  -1.02239559   0.79784133   0.07248284
 C   0.37504351   0.36784730  -0.48073701
 C   0.01399626  -0.93084642  -1.29137285
 C  -0.66059207  -0.30326091  -2.51166285
 C  -1.86154198   0.16050609  -2.11953048
 C  -1.23805806  -1.49583158  -0.57963167
 C  -0.55701306   0.47153053   1.52352261
 C   0.93815557   0.37409143   1.01865353
 H  -3.04224065  -0.16080813  -0.23503037
 H  -1.27291744   1.86021086  -0.06682008
 H   0.90443250   1.06750749  -1.13759651
 H   0.84857965  -1.61824168  -1.48832330
 H  -0.17188068  -0.14544437  -3.47518381
 H  -2.55908672   0.76250907  -2.70529296
 H  -1.71937914  -2.27936480  -1.18441324
 H  -1.06038430  -1.87754779   0.43227723
 H  -0.93423479  -0.49121832   1.90068894
 H  -0.75347623   1.24057296   2.28113178
Si   1.98351535  -1.08657822   1.63474100
Cl   2.44127343  -0.85668161   3.64483826
Cl   1.03789811  -2.93607869   1.54260887
Cl   3.69499583  -1.28387877   0.48287226
Si   1.85860278   2.05316840   1.35215389
Cl   0.85886063   3.18401485   2.78434673
Cl   3.81870808   1.92131108   2.00562838
Cl   1.95123030   3.23964090  -0.35722751
 27
 Energy -3687.75476807 Gradient 0.00019684
 C  -2.01135708  -0.16626656  -0.65402158
 C  -1.01717436   0.79937421   0.05805989
 C   0.38271414   0.36634758  -0.48690437
 C   0.02417640  -0.93430037  -1.29555816
 C  -0.64469437  -0.31011410  -2.52070468
 C  -1.84716214   0.15545690  -2.13547242
 C  -1.23134686  -1.49621070  -0.58746229
 C  -0.55954376   0.47732005   1.51242826
 C   0.93791740   0.37513413   1.01533605
 H  -3.03611101  -0.15889163  -0.25499811
 H  -1.26612226   1.86138156  -0.08625163
 H   0.91640405   1.06371413  -1.14283590
 H   0.85904588  -1.62294092  -1.48679480
 H  -0.15162277  -0.15565944  -3.48252233
 H  -2.54180353   0.75587525  -2.72624691
 H  -1.71043645  -2.28152499  -1.19170909
 H  -1.05825941  -1.87461602   0.42646686
 H  -0.94111324  -0.48274545   1.89207133
 H  -0.75799908   1.24998063   2.26592240
Si   1.97937232  -1.08530874   1.63863571
Cl   2.44120531  -0.84364383   3.64647790
Cl   1.02746897  -2.93214456   1.55873728
Cl   3.68892630  -1.29554678   0.48620769
Si   1.85790410   2.05306180   1.35306017
Cl   0.87564337   3.16609908   2.81083066
Cl   3.82776053   1.91957630   1.97608998
Cl   1.92140498   3.25626081  -0.34592312
 27
 Energy -3687.754949561 Gradient 0.00022342
 C  -2.00331723  -0.16659739  -0.66984410
 C  -1.01191859   0.80092391   0.04345547
 C   0.39044345   0.36489638  -0.49292121
 C   0.03470466  -0.93772490  -1.29944729
 C  -0.62815123  -0.31693188  -2.52968462
 C  -1.83218520   0.15035165  -2.15148849
 C  -1.22430980  -1.49671862  -0.59534858
 C  -0.56227320   0.48360827   1.50128294
 C   0.93753236   0.37637524   1.01225500
 H  -3.02987074  -0.15748785  -0.27544613
 H  -1.25935735   1.86253210  -0.10601566
 H   0.92846143   1.05987758  -1.14799071
 H   0.87004774  -1.62744915  -1.48479884
 H  -0.13058827  -0.16571590  -3.48972710
 H  -2.52378314   0.74933777  -2.74730647
 H  -1.70100436  -2.28379338  -1.19919080
 H  -1.05604643  -1.87186276   0.42062890
 H  -0.94817943  -0.47374918   1.88340580
 H  -0.76278219   1.26010022   2.25035914
Si   1.97480111  -1.08400964   1.64261912
Cl   2.44218378  -0.83097839   3.64776001
Cl   1.01669666  -2.92805362   1.57535949
Cl   3.68214635  -1.30711909   0.48920533
Si   1.85724238   2.05292218   1.35405361
Cl   0.89247098   3.14797618   2.83667277
Cl   3.83628060   1.91836056   1.94670335
Cl   1.89166813   3.27250496  -0.33410894
 27
 Energy -3687.755152396 Gradient 0.00024695
 C  -1.99497098  -0.16684171  -0.68571506
 C  -1.00652119   0.80269302   0.02871331
 C   0.39838416   0.36360244  -0.49882017
 C   0.04551116  -0.94105787  -1.30331246
 C  -0.61134480  -0.32395326  -2.53856092
 C  -1.81694897   0.14502544  -2.16757791
 C  -1.21704049  -1.49703935  -0.60307396
 C  -0.56504539   0.49033006   1.49004201
 C   0.93708027   0.37770594   1.00925673
 H  -3.02325763  -0.15564437  -0.29592662
 H  -1.25241862   1.86380087  -0.12622106
 H   0.94066489   1.05637852  -1.15284469
 H   0.88121431  -1.63192381  -1.48258241
 H  -0.10922512  -0.17612191  -3.49672800
 H  -2.50549084   0.74230840  -2.76857854
 H  -1.69131516  -2.28603966  -1.20631313
 H  -1.05357273  -1.86865341   0.41496582
 H  -0.95562312  -0.46392737   1.87518656
 H  -0.76695386   1.27106555   2.23441919
Si   1.97020037  -1.08256300   1.64671110
Cl   2.44396370  -0.81855905   3.64899327
Cl   1.00542983  -2.92360065   1.59252980
Cl   3.67468293  -1.31888417   0.49173408
Si   1.85646658   2.05294468   1.35505938
Cl   0.90959941   3.12992791   2.86188122
Cl   3.84421742   1.91707712   1.91741853
Cl   1.86209837   3.28821827  -0.32195444
 27
 Energy -3687.755386362 Gradient 0.00026868
 C  -1.98657802  -0.16730418  -0.70141779
 C  -1.00118519   0.80426321   0.01427585
 C   0.40627378   0.36255330  -0.50468226
 C   0.05647956  -0.94402148  -1.30737846
 C  -0.59466578  -0.33060392  -2.54742935
 C  -1.80182218   0.13979535  -2.18340834
 C  -1.20932283  -1.49737511  -0.61087742
 C  -0.56766876   0.49655834   1.47891551
 C   0.93672097   0.37911258   1.00627226
 H  -3.01659820  -0.15465431  -0.31623986
 H  -1.24569135   1.86490513  -0.14566710
 H   0.95244843   1.05363312  -1.15738344
 H   0.89275770  -1.63574413  -1.48076715
 H  -0.08822780  -0.18604143  -3.50382935
 H  -2.48755984   0.73528567  -2.78945153
 H  -1.68110426  -2.28832733  -1.21351054
 H  -1.05047062  -1.86555532   0.40915839
 H  -0.96176389  -0.45555407   1.86580133
 H  -0.77200328   1.28034404   2.21956147
Si   1.96556755  -1.08116707   1.65083924
Cl   2.44618380  -0.80614791   3.64994355
Cl   0.99401886  -2.91890922   1.61007733
Cl   3.66693417  -1.33053885   0.49384723
Si   1.85568763   2.05270955   1.35619338
Cl   0.92679583   3.11157775   2.88653590
Cl   3.85170278   1.91613697   1.88786887
Cl   1.83272258   3.30378617  -0.30903046
 27
 Energy -3687.755621039 Gradient 0.00028797
 C  -1.97810388  -0.16740840  -0.71743791
 C  -0.99575050   0.80589697   0.00003911
 C   0.41416938   0.36148609  -0.51020627
 C   0.06739124  -0.94707847  -1.31092034
 C  -0.57729852  -0.33698881  -2.55602531
 C  -1.78585291   0.13542237  -2.19934781
 C  -1.20216798  -1.49766574  -0.61914213
 C  -0.57030576   0.50245573   1.46790993
 C   0.93630172   0.38035717   1.00346817
 H  -3.00995060  -0.15283698  -0.33725704
 H  -1.23868501   1.86606835  -0.16481418
 H   0.96479923   1.05033161  -1.16168658
 H   0.90403547  -1.63981621  -1.47821796
 H  -0.06579611  -0.19467509  -3.51006503
 H  -2.46808042   0.72979111  -2.81033012
 H  -1.67136682  -2.29016425  -1.22176590
 H  -1.04843627  -1.86287034   0.40273460
 H  -0.96854707  -0.44725492   1.85645181
 H  -0.77673464   1.28944896   2.20471946
Si   1.96103886  -1.07977645   1.65476979
Cl   2.44869658  -0.79367339   3.65069262
Cl   0.98258074  -2.91410225   1.62750087
Cl   3.65929844  -1.34210511   0.49605261
Si   1.85477749   2.05256402   1.35742745
Cl   0.94367291   3.09260620   2.91084581
Cl   3.85862731   1.91561305   1.85821047
Cl   1.80347034   3.31880902  -0.29559327
 27
 Energy -3687.75586812 Gradient 0.00030998
 C  -1.96932054  -0.16735279  -0.73353673
 C  -0.99006098   0.80772422  -0.01442161
 C   0.42231363   0.36050634  -0.51562955
 C   0.07866925  -0.94971714  -1.31468415
 C  -0.55955086  -0.34285903  -2.56475975
 C  -1.76977713   0.13074902  -2.21539481
 C  -1.19445978  -1.49764213  -0.62732858
 C  -0.57303053   0.50910807   1.45679424
 C   0.93577204   0.38166223   1.00088381
 H  -3.00300846  -0.15117670  -0.35840721
 H  -1.23134987   1.86741375  -0.18432177
 H   0.97719081   1.04752447  -1.16560855
 H   0.91573860  -1.64344082  -1.47591405
 H  -0.04359898  -0.20434800  -3.51697442
 H  -2.44883520   0.72352026  -2.83152273
 H  -1.66106864  -2.29187695  -1.22965561
 H  -1.04579990  -1.85960829   0.39650103
 H  -0.97594490  -0.43761129   1.84785183
 H  -0.78122679   1.30002559   2.18902234
Si   1.95641209  -1.07841250   1.65884194
Cl   2.45165369  -0.78140526   3.65127308
Cl   0.97089205  -2.90901761   1.64504989
Cl   3.65137133  -1.35372858   0.49819278
Si   1.85387769   2.05219088   1.35873661
Cl   0.96064319   3.07348878   2.93460313
Cl   3.86492806   1.91518473   1.82880767
Cl   1.77418227   3.33323854  -0.28173286
 27
 Energy -3687.756140305 Gradient 0.00032637
 C  -1.96021217  -0.16802259  -0.74931918
 C  -0.98456232   0.80949201  -0.02874709
 C   0.43038944   0.36019414  -0.52119230
 C   0.09039693  -0.95170981  -1.31897820
 C  -0.54226867  -0.34851346  -2.57360934
 C  -1.75419295   0.12566851  -2.23106912
 C  -1.18572950  -1.49785259  -0.63564853
 C  -0.57561824   0.51556249   1.44562224
 C   0.93519844   0.38303135   0.99810609
 H  -2.99553280  -0.15072111  -0.37879198
 H  -1.22488337   1.86846853  -0.20372365
 H   0.98946817   1.04564149  -1.16938251
 H   0.92816698  -1.64582844  -1.47452195
 H  -0.02210621  -0.21279026  -3.52390620
 H  -2.43073082   0.71616944  -2.85199756
 H  -1.64945737  -2.29411740  -1.23752110
 H  -1.04145139  -1.85653026   0.38994314
 H  -0.98292889  -0.42841658   1.83878023
 H  -0.78578554   1.30987866   2.17374372
Si   1.95162618  -1.07700889   1.66289684
Cl   2.45485830  -0.76918274   3.65166965
Cl   0.95903588  -2.90385406   1.66297712
Cl   3.64296614  -1.36530395   0.50015682
Si   1.85293423   2.05180584   1.36003597
Cl   0.97790310   3.05415157   2.95781846
Cl   3.87090717   1.91501600   1.79934952
Cl   1.74520339   3.34756594  -0.26716669
 27
 Energy -3687.756415998 Gradient 0.00034143
 C  -1.95115625  -0.16842745  -0.76521113
 C  -0.97902441   0.81125838  -0.04289063
 C   0.43839941   0.35986222  -0.52667949
 C   0.10205625  -0.95373614  -1.32290956
 C  -0.52458285  -0.35396665  -2.58219841
 C  -1.73811511   0.12123862  -2.24682185
 C  -1.17726495  -1.49795707  -0.64412852
 C  -0.57801719   0.52204536   1.43465322
 C   0.93477776   0.38428185   0.99513236
 H  -2.98823486  -0.15012471  -0.39965650
 H  -1.21828598   1.86960841  -0.22263831
 H   1.00145593   1.04385270  -1.17315732
 H   0.94057359  -1.64829668  -1.47261692
 H   0.00013259  -0.22086091  -3.53036354
 H  -2.41160530   0.71031863  -2.87254729
 H  -1.63816435  -2.29574150  -1.24619398
 H  -1.03822609  -1.85408644   0.38313078
 H  -0.98998378  -0.41889144   1.83030325
 H  -0.78960286   1.32032349   2.15818546
Si   1.94680552  -1.07561705   1.66667164
Cl   2.45806995  -0.75703005   3.65172641
Cl   0.94703502  -2.89846025   1.68098000
Cl   3.63491983  -1.37731772   0.50258527
Si   1.85188097   2.05144780   1.36142806
Cl   0.99524804   3.03465128   2.98042686
Cl   3.87633689   1.91507136   1.76976896
Cl   1.71628159   3.36164133  -0.25211175
 27
 Energy -3687.756697852 Gradient 0.00035152
 C  -1.94178970  -0.16923575  -0.78109593
 C  -0.97338574   0.81289406  -0.05714290
 C   0.44662282   0.35970565  -0.53203859
 C   0.11409721  -0.95555680  -1.32712125
 C  -0.50676550  -0.35932524  -2.59084643
 C  -1.72196121   0.11642828  -2.26244990
 C  -1.16816298  -1.49806623  -0.65245890
 C  -0.58044181   0.52860284   1.42345297
 C   0.93441975   0.38581087   0.99248223
 H  -2.98051919  -0.14998394  -0.42032715
 H  -1.21174164   1.87047280  -0.24190005
 H   1.01380944   1.04223998  -1.17662069
 H   0.95331423  -1.65042138  -1.47104650
 H   0.02232155  -0.22863980  -3.53691103
 H  -2.39261229   0.70364975  -2.89283756
 H  -1.62602308  -2.29817441  -1.25373678
 H  -1.03318039  -1.85039629   0.37662226
 H  -0.99675116  -0.40943804   1.82145992
 H  -0.79382670   1.33057206   2.14256503
Si   1.94211297  -1.07422067   1.67072777
Cl   2.46177423  -0.74520125   3.65183637
Cl   0.93485204  -2.89274690   1.69907426
Cl   3.62649268  -1.38917259   0.50473717
Si   1.85081344   2.05119369   1.36275383
Cl   1.01252368   3.01508725   3.00249161
Cl   3.88111576   1.91531231   1.74021651
Cl   1.68731219   3.37540100  -0.23662854
 27
 Energy -3687.756994186 Gradient 0.00036316
 C  -1.93216835  -0.17040627  -0.79689312
 C  -0.96772964   0.81422375  -0.07114702
 C   0.45485408   0.35957310  -0.53724682
 C   0.12647340  -0.95711695  -1.33155630
 C  -0.48871162  -0.36374934  -2.59941216
 C  -1.70572185   0.11195130  -2.27783744
 C  -1.15851748  -1.49853085  -0.66131537
 C  -0.58291847   0.53498516   1.41257074
 C   0.93381227   0.38707837   0.98991669
 H  -2.97251635  -0.15084758  -0.44079726
 H  -1.20563474   1.87101295  -0.26058821
 H   1.02583964   1.04109409  -1.17972452
 H   0.96666025  -1.65191354  -1.47017959
 H   0.04475672  -0.23484884  -3.54328677
 H  -2.37379708   0.69739955  -2.91268598
 H  -1.61317498  -2.30055986  -1.26241034
 H  -1.02791289  -1.84789925   0.36941208
 H  -1.00388767  -0.39997961   1.81300936
 H  -0.79794548   1.34089007   2.12694736
Si   1.93732311  -1.07277061   1.67486403
Cl   2.46629674  -0.73370796   3.65178676
Cl   0.92257641  -2.88681727   1.71761786
Cl   3.61741765  -1.40070339   0.50626010
Si   1.84954309   2.05078898   1.36418923
Cl   1.02977965   2.99531567   3.02402679
Cl   3.88536703   1.91583839   1.71058141
Cl   1.65862281   3.38890439  -0.22049314
 27
 Energy -3687.757291155 Gradient 0.00036840
 C  -1.92246131  -0.17136540  -0.81275700
 C  -0.96201161   0.81562420  -0.08509965
 C   0.46318320   0.35964008  -0.54230705
 C   0.13899457  -0.95842827  -1.33589506
 C  -0.47042713  -0.36841256  -2.60802036
 C  -1.68915669   0.10749172  -2.29328367
 C  -1.14890602  -1.49876374  -0.67027027
 C  -0.58532747   0.54114912   1.40154542
 C   0.93333343   0.38852433   0.98752266
 H  -2.96448540  -0.15115721  -0.46163629
 H  -1.19889766   1.87160709  -0.27941972
 H   1.03815916   1.04017163  -1.18248860
 H   0.97996241  -1.65335616  -1.46883973
 H   0.06737359  -0.24154979  -3.54967886
 H  -2.35438560   0.69126244  -2.93257404
 H  -1.60042816  -2.30263170  -1.27127967
 H  -1.02274743  -1.84519745   0.36198863
 H  -1.01050619  -0.39094678   1.80423061
 H  -0.80252029   1.35082775   2.11122001
Si   1.93248938  -1.07144317   1.67888266
Cl   2.47116237  -0.72237550   3.65141072
Cl   0.90994132  -2.88047944   1.73625454
Cl   3.60849227  -1.41255371   0.50807473
Si   1.84825874   2.05031193   1.36576093
Cl   1.04698251   2.97566536   3.04495687
Cl   3.88906670   1.91667290   1.68089983
Cl   1.63002620   3.40195959  -0.20378195
 27
 Energy -3687.757582605 Gradient 0.00037563
 C  -1.91244888  -0.17253799  -0.82867165
 C  -0.95614769   0.81721504  -0.09938605
 C   0.47162230   0.35984931  -0.54752869
 C   0.15183538  -0.95988662  -1.33991629
 C  -0.45186251  -0.37372739  -2.61653998
 C  -1.67237935   0.10224347  -2.30887544
 C  -1.13880592  -1.49903593  -0.67869181
 C  -0.58773299   0.54774485   1.39025273
 C   0.93282244   0.39011755   0.98491630
 H  -2.95613896  -0.15198305  -0.48250566
 H  -1.19239027   1.87233656  -0.29870952
 H   1.05050889   1.03929357  -1.18556488
 H   0.99388758  -1.65462525  -1.46697959
 H   0.09020683  -0.24931050  -3.55610134
 H  -2.33496936   0.68387107  -2.95290869
 H  -1.58706707  -2.30502530  -1.27929829
 H  -1.01717516  -1.84219684   0.35525123
 H  -1.01757116  -0.38138877   1.79491328
 H  -0.80635473   1.36094724   2.09565730
Si   1.92763700  -1.06982111   1.68295995
Cl   2.47623185  -0.71122760   3.65097641
Cl   0.89709701  -2.87394678   1.75504987
Cl   3.59940401  -1.42448448   0.51003888
Si   1.84683436   2.05014739   1.36728098
Cl   1.06424330   2.95607597   3.06533441
Cl   3.89216020   1.91755439   1.65133910
Cl   1.60157835   3.41486160  -0.18682673
 27
 Energy -3687.757882284 Gradient 0.00037651
 C  -1.90226319  -0.17387304  -0.84445968
 C  -0.95024788   0.81871450  -0.11347981
 C   0.48012629   0.36021598  -0.55266465
 C   0.16483138  -0.96110754  -1.34414001
 C  -0.43320977  -0.37852876  -2.62495666
 C  -1.65550210   0.09727152  -2.32422163
 C  -1.12848025  -1.49936793  -0.68734645
 C  -0.58997242   0.55417780   1.37905167
 C   0.93233708   0.39174413   0.98224632
 H  -2.94754975  -0.15296788  -0.50315338
 H  -1.18607210   1.87288196  -0.31760228
 H   1.06295506   1.03863511  -1.18841379
 H   1.00770847  -1.65578096  -1.46554220
 H   0.11314136  -0.25609713  -3.56228798
 H  -2.31545737   0.67679097  -2.97276184
 H  -1.57334001  -2.30745594  -1.28766032
 H  -1.01118431  -1.83941365   0.34811692
 H  -1.02420677  -0.37199543   1.78582404
 H  -0.81027877   1.37099878   2.07997548
Si   1.92275058  -1.06814404   1.68692099
Cl   2.48167452  -0.70038054   3.65035569
Cl   0.88414617  -2.86707453   1.77427276
Cl   3.59007835  -1.43668078   0.51197682
Si   1.84529480   2.04997465   1.36872151
Cl   1.08161693   2.93655242   3.08512030
Cl   3.89462588   1.91850414   1.62173587
Cl   1.57334122   3.42754164  -0.16942904
 27
 Energy -3687.758179506 Gradient 0.00037836
 C  -1.89194049  -0.17531316  -0.86039117
 C  -0.94437796   0.81997557  -0.12732645
 C   0.48860462   0.36061021  -0.55746076
 C   0.17805853  -0.96202461  -1.34830791
 C  -0.41407542  -0.38261088  -2.63324924
 C  -1.63825987   0.09273628  -2.33954846
 C  -1.11786083  -1.49981611  -0.69642914
 C  -0.59235596   0.56043472   1.36806587
 C   0.93171227   0.39316997   0.98006732
 H  -2.93889900  -0.15451027  -0.52423164
 H  -1.17975981   1.87324007  -0.33610277
 H   1.07519298   1.03837264  -1.19068183
 H   1.02205641  -1.65629756  -1.46418008
 H   0.13668411  -0.26190820  -3.56822564
 H  -2.29537817   0.67066898  -2.99247950
 H  -1.55923042  -2.30982832  -1.29673560
 H  -1.00511877  -1.83701159   0.34055463
 H  -1.03123364  -0.36266992   1.77691909
 H  -0.81434545   1.38101462   2.06428260
Si   1.91784431  -1.06671766   1.69121927
Cl   2.48784197  -0.68999357   3.64962198
Cl   0.87083131  -2.85986702   1.79357880
Cl   3.58034337  -1.44879468   0.51360682
Si   1.84369772   2.04965572   1.37018873
Cl   1.09902084   2.91721807   3.10415386
Cl   3.89664230   1.91973672   1.59208356
Cl   1.54518969   3.43983440  -0.15149602
 27
 Energy -3687.758480798 Gradient 0.00037543
 C  -1.88131124  -0.17686868  -0.87614798
 C  -0.93841688   0.82127285  -0.14100837
 C   0.49719863   0.36118523  -0.56203557
 C   0.19166036  -0.96282655  -1.35262331
 C  -0.39486706  -0.38673149  -2.64150431
 C  -1.62085181   0.08810493  -2.35466499
 C  -1.10676636  -1.50011917  -0.70528381
 C  -0.59466863   0.56659500   1.35719066
 C   0.93109551   0.39477391   0.97795947
 H  -2.92985296  -0.15612704  -0.54499734
 H  -1.17336666   1.87355953  -0.35454152
 H   1.08760133   1.03832637  -1.19260344
 H   1.03689131  -1.65643818  -1.46285173
 H   0.16020899  -0.26754088  -3.57411245
 H  -2.27548764   0.66375922  -3.01198782
 H  -1.54454908  -2.31224075  -1.30537450
 H  -0.99837733  -1.83435299   0.33309779
 H  -1.03792025  -0.35355553   1.76801353
 H  -0.81843961   1.39074865   2.04884307
Si   1.91279941  -1.06518257   1.69544244
Cl   2.49477018  -0.68027114   3.64872921
Cl   0.85720799  -2.85246503   1.81316953
Cl   3.57023957  -1.46094968   0.51516762
Si   1.84200098   2.04951485   1.37167502
Cl   1.11637042   2.89820757   3.12260749
Cl   3.89801282   1.92115929   1.56230731
Cl   1.51719683   3.45180079  -0.13328839
 27
 Energy -3687.758770084 Gradient 0.00036803
 C  -1.87060471  -0.17898276  -0.89168122
 C  -0.93258664   0.82211567  -0.15425245
 C   0.50567662   0.36204242  -0.56662498
 C   0.20547880  -0.96318502  -1.35690465
 C  -0.37569620  -0.39037395  -2.64964275
 C  -1.60364358   0.08337695  -2.36950392
 C  -1.09517657  -1.50084471  -0.71442954
 C  -0.59672250   0.57232892   1.34660668
 C   0.93066931   0.39650042   0.97582410
 H  -2.92070999  -0.15888609  -0.56546704
 H  -1.16759041   1.87340238  -0.37210685
 H   1.09934461   1.03907405  -1.19443545
 H   1.05210271  -1.65592288  -1.46185950
 H   0.18350983  -0.27248431  -3.57996017
 H  -2.25603331   0.65681775  -3.03103355
 H  -1.52910251  -2.31492884  -1.31463214
 H  -0.99113410  -1.83238658   0.32530600
 H  -1.04360086  -0.34503698   1.75987925
 H  -0.82242867   1.40010415   2.03355427
Si   1.90787396  -1.06367461   1.69953878
Cl   2.50218836  -0.67109951   3.64750187
Cl   0.84308161  -2.84437430   1.83303892
Cl   3.56013560  -1.47363866   0.51678129
Si   1.84017339   2.04952987   1.37316828
Cl   1.13384787   2.87963223   3.14040097
Cl   3.89886032   1.92273792   1.53249246
Cl   1.48933637   3.46372784  -0.11468283
 27
 Energy -3687.759053314 Gradient 0.00035953
 C  -1.85957217  -0.18127396  -0.90715183
 C  -0.92669911   0.82291237  -0.16747782
 C   0.51429807   0.36301368  -0.57097755
 C   0.21972479  -0.96329557  -1.36145871
 C  -0.35614085  -0.39338799  -2.65772381
 C  -1.58611465   0.07890159  -2.38416561
 C  -1.08305201  -1.50161635  -0.72380501
 C  -0.59895872   0.57767571   1.33593759
 C   0.93008729   0.39797805   0.97387003
 H  -2.91121859  -0.16211133  -0.58586766
 H  -1.16171888   1.87313020  -0.38985813
 H   1.11139599   1.04003324  -1.19580500
 H   1.06776854  -1.65496598  -1.46125590
 H   0.20724418  -0.27620954  -3.58559052
 H  -2.23613867   0.65040504  -3.04964864
 H  -1.51304063  -2.31766152  -1.32418996
 H  -0.98305496  -1.83074654   0.31710308
 H  -1.05034154  -0.33695879   1.75030854
 H  -0.82646885   1.40865683   2.01867176
Si   1.90308040  -1.06226247   1.70372831
Cl   2.51011511  -0.66233502   3.64618980
Cl   0.82858361  -2.83595639   1.85304718
Cl   3.54989943  -1.48661538   0.51838000
Si   1.83814493   2.04954953   1.37471576
Cl   1.15117130   2.86151727   3.15751360
Cl   3.89900467   1.92455504   1.50272818
Cl   1.46167688   3.47527494  -0.09562156
 27
 Energy -3687.759320329 Gradient 0.00034780
 C  -1.84823629  -0.18357509  -0.92281092
 C  -0.92062508   0.82365283  -0.18070120
 C   0.52309309   0.36411985  -0.57527905
 C   0.23433154  -0.96316176  -1.36597947
 C  -0.33615585  -0.39621909  -2.66584795
 C  -1.56818747   0.07451402  -2.39896363
 C  -1.07049468  -1.50233993  -0.73333152
 C  -0.60122681   0.58283006   1.32525070
 C   0.92946566   0.39954002   0.97213606
 H  -2.90143401  -0.16549120  -0.60653429
 H  -1.15590999   1.87283646  -0.40716949
 H   1.12356057   1.04131949  -1.19687067
 H   1.08388849  -1.65367231  -1.46064828
 H   0.23144236  -0.27969444  -3.59124304
 H  -2.21600368   0.64387324  -3.06846375
 H  -1.49639122  -2.32032654  -1.33396239
 H  -0.97463361  -1.82914817   0.30877320
 H  -1.05660343  -0.32931493   1.74081372
 H  -0.83100410   1.41693339   2.00364391
Si   1.89824353  -1.06083475   1.70808928
Cl   2.51872831  -0.65402571   3.64478476
Cl   0.81420418  -2.82734061   1.87353789
Cl   3.53905565  -1.49981370   0.51969997
Si   1.83584424   2.04966740   1.37626724
Cl   1.16809892   2.84363831   3.17400456
Cl   3.89845284   1.92658914   1.47318513
Cl   1.43433520   3.48657931  -0.07632759
 27
 Energy -3687.75956053 Gradient 0.00033447
 C  -1.83681389  -0.18679644  -0.93874677
 C  -0.91497332   0.82352368  -0.19320648
 C   0.53165439   0.36518144  -0.57885180
 C   0.24935722  -0.96280900  -1.37055848
 C  -0.31505076  -0.39731570  -2.67354553
 C  -1.54948085   0.07097622  -2.41359414
 C  -1.05750455  -1.50368656  -0.74387245
 C  -0.60364318   0.58672702   1.31521140
 C   0.92869159   0.40090689   0.97081202
 H  -2.89161520  -0.17031289  -0.62780950
 H  -1.15070632   1.87166072  -0.42355057
 H   1.13533949   1.04287814  -1.19705308
 H   1.10062722  -1.65175184  -1.46027823
 H   0.26052435  -0.27538353  -3.59318506
 H  -2.19404667   0.64020058  -3.08630863
 H  -1.47879952  -2.32338136  -1.34544316
 H  -0.96614209  -1.82873414   0.29918140
 H  -1.06241516  -0.32332079   1.73166641
 H  -0.83604240   1.42355689   1.98962506
Si   1.89349122  -1.05955865   1.71256803
Cl   2.52850113  -0.64624461   3.64308091
Cl   0.79942806  -2.81830402   1.89438980
Cl   3.52777761  -1.51318775   0.52054939
Si   1.83321022   2.04983874   1.37791610
Cl   1.18470422   2.82662501   3.18968799
Cl   3.89705985   1.92884954   1.44385587
Cl   1.40717070   3.49740771  -0.05692031
 27
 Energy -3687.759832576 Gradient 0.00032382
 C  -1.82476018  -0.18953244  -0.95425401
 C  -0.90895442   0.82358050  -0.20541290
 C   0.54057830   0.36665547  -0.58252092
 C   0.26494703  -0.96175405  -1.37568892
 C  -0.29448850  -0.39860000  -2.68178207
 C  -1.53101596   0.06746568  -2.42795739
 C  -1.04368286  -1.50473718  -0.75449004
 C  -0.60592115   0.59013318   1.30522079
 C   0.92802635   0.40228209   0.96957635
 H  -2.88112265  -0.17505755  -0.64852561
 H  -1.14532093   1.87073409  -0.43910635
 H   1.14720967   1.04522740  -1.19703456
 H   1.11796777  -1.64904286  -1.46085380
 H   0.28216437  -0.28058002  -3.60137921
 H  -2.17408839   0.63383865  -3.10453202
 H  -1.46057694  -2.32590087  -1.35705305
 H  -0.95622351  -1.82854967   0.28939818
 H  -1.06799340  -0.31818633   1.72187508
 H  -0.84111038   1.42912237   1.97625274
Si   1.88890533  -1.05821791   1.71694731
Cl   2.53913199  -0.63908551   3.64103712
Cl   0.78455688  -2.80892921   1.91594219
Cl   3.51622112  -1.52705061   0.52119474
Si   1.83027891   2.05024240   1.37963512
Cl   1.20089965   2.81020458   3.20480211
Cl   3.89490830   1.93112727   1.41492475
Cl   1.38019540   3.50801017  -0.03724788
 27
 Energy -3687.760061179 Gradient 0.00030150
 C  -1.81273058  -0.19269051  -0.96930643
 C  -0.90284992   0.82367785  -0.21774539
 C   0.54949071   0.36844144  -0.58646542
 C   0.28050174  -0.96049664  -1.38100875
 C  -0.27464742  -0.40024709  -2.69006208
 C  -1.51338249   0.06310012  -2.44208948
 C  -1.02941784  -1.50583253  -0.76459294
 C  -0.60786271   0.59376170   1.29501132
 C   0.92761543   0.40378205   0.96812351
 H  -2.87041621  -0.18014244  -0.66809307
 H  -1.14006610   1.86972079  -0.45510399
 H   1.15895188   1.04808285  -1.19722160
 H   1.13540074  -1.64585779  -1.46173154
 H   0.30511173  -0.28303070  -3.60777671
 H  -2.15523762   0.62652892  -3.12222423
 H  -1.44187527  -2.32884413  -1.36771828
 H  -0.94543261  -1.82782654   0.28015190
 H  -1.07322966  -0.31265213   1.71212359
 H  -0.84578798   1.43518161   1.96223876
Si   1.88451767  -1.05697729   1.72125659
Cl   2.55051818  -0.63247016   3.63867944
Cl   0.76921157  -2.79870932   1.93750155
Cl   3.50456760  -1.54147671   0.52176780
Si   1.82738706   2.05073431   1.38142370
Cl   1.21685499   2.79409551   3.21945136
Cl   3.89234228   1.93358817   1.38623464
Cl   1.35360599   3.51856114  -0.01711496
 27
 Energy -3687.760275398 Gradient 0.00028359
 C  -1.80065070  -0.19679829  -0.98444769
 C  -0.89713831   0.82282490  -0.22948834
 C   0.55817056   0.37009537  -0.58985326
 C   0.29646546  -0.95914445  -1.38609745
 C  -0.25380827  -0.40040824  -2.69775251
 C  -1.49505478   0.05940092  -2.45587983
 C  -1.01469355  -1.50763622  -0.77534552
 C  -0.60995403   0.59649673   1.28538380
 C   0.92711732   0.40529130   0.96709095
 H  -2.85975384  -0.18691624  -0.68813302
 H  -1.13567224   1.86774048  -0.47005813
 H   1.16999333   1.05123072  -1.19678196
 H   1.15350601  -1.64222386  -1.46268652
 H   0.33033869  -0.28113096  -3.61244269
 H  -2.13504852   0.62125251  -3.13911162
 H  -1.42215928  -2.33225342  -1.37961926
 H  -0.93444753  -1.82855644   0.27008314
 H  -1.07800801  -0.30834016   1.70291708
 H  -0.85118251   1.44038592   1.94856452
Si   1.88031113  -1.05569848   1.72561027
Cl   2.56282264  -0.62654708   3.63603966
Cl   0.75294243  -2.78755560   1.95901407
Cl   3.49246822  -1.55641734   0.52207428
Si   1.82432105   2.05138347   1.38319797
Cl   1.23276134   2.77870204   3.23335522
Cl   3.88922072   1.93632507   1.35801130
Cl   1.32736212   3.52869617   0.00291375
 27
 Energy -3687.760475539 Gradient 0.00026409
 C  -1.78819998  -0.20054172  -0.99949222
 C  -0.89127389   0.82218460  -0.24090485
 C   0.56698644   0.37204704  -0.59304098
 C   0.31276850  -0.95729683  -1.39147929
 C  -0.23285708  -0.40027471  -2.70565519
 C  -1.47649036   0.05607954  -2.46961943
 C  -0.99961748  -1.50920258  -0.78647707
 C  -0.61204068   0.59867421   1.27592236
 C   0.92655869   0.40668458   0.96616984
 H  -2.84870045  -0.19346384  -0.70817313
 H  -1.13136891   1.86595451  -0.48454002
 H   1.18124148   1.05480631  -1.19591879
 H   1.17195261  -1.63795068  -1.46392216
 H   0.35491249  -0.28031044  -3.61790764
 H  -2.11498489   0.61580475  -3.15596633
 H  -1.40212865  -2.33518712  -1.39223024
 H  -0.92307747  -1.82938662   0.25950367
 H  -1.08269979  -0.30493546   1.69319216
 H  -0.85604347   1.44415613   1.93630128
Si   1.87597299  -1.05447246   1.72994631
Cl   2.57597823  -0.62118247   3.63303417
Cl   0.73665623  -2.77614160   1.98141291
Cl   3.47965975  -1.57206671   0.52212111
Si   1.82104503   2.05215795   1.38485944
Cl   1.24835148   2.76398247   3.24660179
Cl   3.88541893   1.93909695   1.33036082
Cl   1.30165902   3.53856982   0.02286102
 27
 Energy -3687.760660571 Gradient 0.00024032
 C  -1.77565278  -0.20464973  -1.01455669
 C  -0.88557192   0.82123906  -0.25205829
 C   0.57571379   0.37419624  -0.59609136
 C   0.32926210  -0.95500462  -1.39696486
 C  -0.21178156  -0.39910802  -2.71340437
 C  -1.45795842   0.05322886  -2.48316895
 C  -0.98401592  -1.51085466  -0.79775170
 C  -0.61416376   0.60028877   1.26661276
 C   0.92596569   0.40799136   0.96546172
 H  -2.83752914  -0.20075000  -0.72817201
 H  -1.12712548   1.86396982  -0.49825117
 H   1.19212537   1.05899500  -1.19464541
 H   1.19072957  -1.63304990  -1.46567334
 H   0.38011958  -0.27672342  -3.62268461
 H  -2.09490479   0.61134388  -3.17228502
 H  -1.38130387  -2.33825034  -1.40497984
 H  -0.91099407  -1.83048996   0.24872987
 H  -1.08715627  -0.30235363   1.68335201
 H  -0.86164389   1.44731083   1.92392021
Si   1.87181372  -1.05347692   1.73431467
Cl   2.58992135  -0.61628750   3.62963912
Cl   0.71988647  -2.76414858   2.00419890
Cl   3.46651373  -1.58827522   0.52200205
Si   1.81758371   2.05293256   1.38666096
Cl   1.26363908   2.74992330   3.25927017
Cl   3.88110159   1.94202372   1.30305483
Cl   1.27656449   3.54794404   0.04274399
 27
 Energy -3687.760825966 Gradient 0.00022005
 C  -1.76283474  -0.20953215  -1.02916523
 C  -0.88008811   0.81975939  -0.26269006
 C   0.58435152   0.37674529  -0.59895925
 C   0.34637383  -0.95200087  -1.40304715
 C  -0.19087372  -0.39701240  -2.72130785
 C  -1.43974740   0.05041881  -2.49623581
 C  -0.96726469  -1.51288662  -0.80948541
 C  -0.61628534   0.60116420   1.25768172
 C   0.92540491   0.40918595   0.96483091
 H  -2.82594095  -0.20962180  -0.74740761
 H  -1.12408062   1.86128199  -0.51142588
 H   1.20252606   1.06415328  -1.19293275
 H   1.21045296  -1.62682646  -1.46847364
 H   0.40435384  -0.27216423  -3.62805662
 H  -2.07581869   0.60658483  -3.18771093
 H  -1.35903551  -2.34172846  -1.41837845
 H  -0.89720689  -1.83216941   0.23735667
 H  -1.09133745  -0.30071049   1.67374490
 H  -0.86717893   1.44958602   1.91208797
Si   1.86767421  -1.05250477   1.73856183
Cl   2.60459397  -0.61183650   3.62578839
Cl   0.70289769  -2.75153853   2.02738455
Cl   3.45292021  -1.60522284   0.52175518
Si   1.81400204   2.05375000   1.38861178
Cl   1.27851036   2.73683879   3.27128919
Cl   3.87626720   1.94523689   1.27643352
Cl   1.25194825   3.55682659   0.06243314
 27
 Energy -3687.760972517 Gradient 0.00019975
 C  -1.74993381  -0.21517802  -1.04347912
 C  -0.87492433   0.81771836  -0.27282158
 C   0.59275709   0.37964530  -0.60193195
 C   0.36381773  -0.94824001  -1.40969221
 C  -0.17021709  -0.39362519  -2.72930271
 C  -1.42201974   0.04784270  -2.50893892
 C  -0.94957638  -1.51534908  -0.82187869
 C  -0.61817778   0.60092150   1.24898921
 C   0.92499794   0.41039406   0.96409678
 H  -2.81416420  -0.22014413  -0.76598947
 H  -1.12170466   1.85804224  -0.52347866
 H   1.21205575   1.07040354  -1.19099196
 H   1.23091613  -1.61928611  -1.47254879
 H   0.42833931  -0.26458874  -3.63328674
 H  -2.05762382   0.60223104  -3.20229692
 H  -1.33536517  -2.34530424  -1.43301881
 H  -0.88214186  -1.83537112   0.22500333
 H  -1.09430180  -0.30079551   1.66418096
 H  -0.87324991   1.45013201   1.90097747
Si   1.86378426  -1.05163800   1.74267516
Cl   2.62000947  -0.60753309   3.62131735
Cl   0.68582086  -2.73834955   2.05119200
Cl   3.43904064  -1.62304502   0.52152663
Si   1.81017534   2.05476073   1.39053039
Cl   1.29277425   2.72442321   3.28267271
Cl   3.87094963   1.94854677   1.25071079
Cl   1.22784989   3.56543578   0.08200781
 27
 Energy -3687.76110177 Gradient 0.00017700
 C  -1.73684123  -0.22131140  -1.05739542
 C  -0.87000555   0.81524038  -0.28227627
 C   0.60104318   0.38311937  -0.60478406
 C   0.38175436  -0.94344085  -1.41722054
 C  -0.14998477  -0.38858309  -2.73755512
 C  -1.40486596   0.04597765  -2.52114937
 C  -0.93081701  -1.51794689  -0.83498623
 C  -0.61994369   0.59947542   1.24076565
 C   0.92475439   0.41138572   0.96337351
 H  -2.80202569  -0.23192767  -0.78378639
 H  -1.12021196   1.85434777  -0.53440922
 H   1.22095357   1.07793875  -1.18866079
 H   1.25220288  -1.61003928  -1.47846203
 H   0.45114461  -0.25488353  -3.63912806
 H  -2.04055674   0.59843797  -3.21595084
 H  -1.31053072  -2.34882538  -1.44868189
 H  -0.86544041  -1.83905579   0.21178882
 H  -1.09670348  -0.30274060   1.65405141
 H  -0.87941279   1.44878661   1.89108455
Si   1.86028115  -1.05096271   1.74657341
Cl   2.63609847  -0.60356218   3.61642249
Cl   0.66873781  -2.72447687   2.07523673
Cl   3.42487698  -1.64186698   0.52097461
Si   1.80619624   2.05577030   1.39266297
Cl   1.30634858   2.71254179   3.29369209
Cl   3.86510867   1.95204761   1.22590837
Cl   1.20414120   3.57361457   0.10144311
 27
 Energy -3687.761216748 Gradient 0.00015366
 C  -1.72348736  -0.22794732  -1.07096634
 C  -0.86513999   0.81253142  -0.29157608
 C   0.60930756   0.38694954  -0.60769848
 C   0.40010629  -0.93789982  -1.42521747
 C  -0.12996982  -0.38264736  -2.74592096
 C  -1.38809069   0.04416486  -2.53304945
 C  -0.91099233  -1.52061269  -0.84824601
 C  -0.62161712   0.59782550   1.23254136
 C   0.92457170   0.41228329   0.96264085
 H  -2.78949663  -0.24491305  -0.80087526
 H  -1.11920602   1.85030431  -0.54507204
 H   1.22946249   1.08628946  -1.18605244
 H   1.27420582  -1.59964744  -1.48514569
 H   0.47362812  -0.24340351  -3.64501062
 H  -2.02446483   0.59469104  -3.22876567
 H  -1.28439327  -2.35253198  -1.46434663
 H  -0.84687427  -1.84319694   0.19828345
 H  -1.09883339  -0.30484612   1.64433546
 H  -0.88541915   1.44733128   1.88102377
Si   1.85686313  -1.05042644   1.75021623
Cl   2.65303445  -0.60001667   3.61077390
Cl   0.65161608  -2.71022541   2.09961158
Cl   3.41037313  -1.66148476   0.52025981
Si   1.80204774   2.05673615   1.39497626
Cl   1.31887580   2.70122387   3.30417388
Cl   3.85894102   1.95621220   1.20234194
Cl   1.18091261   3.58119263   0.12078901
 27
 Energy -3687.761308909 Gradient 0.00013066
 C  -1.71008453  -0.23537256  -1.08418280
 C  -0.86067366   0.80912059  -0.30031054
 C   0.61725517   0.39107032  -0.61066161
 C   0.41872161  -0.93188260  -1.43368143
 C  -0.11041851  -0.37598440  -2.75439594
 C  -1.37186398   0.04233270  -2.54453850
 C  -0.89044773  -1.52374471  -0.86189600
 C  -0.62307966   0.59496350   1.22473120
 C   0.92463161   0.41320064   0.96166638
 H  -2.77677709  -0.25937578  -0.81736911
 H  -1.11920598   1.84554246  -0.55471914
 H   1.23690679   1.09548693  -1.18358668
 H   1.29683857  -1.58808377  -1.49289537
 H   0.49513773  -0.23063003  -3.65118316
 H  -2.00940073   0.59083109  -3.24079349
 H  -1.25724390  -2.35654234  -1.48076516
 H  -0.82730635  -1.84808944   0.18426937
 H  -1.09988784  -0.30869419   1.63476270
 H  -0.89158328   1.44417558   1.87181800
Si   1.85392159  -1.04988163   1.75350916
Cl   2.67077771  -0.59649444   3.60431759
Cl   0.63451194  -2.69496810   2.12467892
Cl   3.39543637  -1.68209226   0.51915747
Si   1.79770544   2.05796652   1.39726093
Cl   1.33048406   2.69014493   3.31420953
Cl   3.85242759   1.96081248   1.18040064
Cl   1.15842303   3.58856020   0.13957593
 27
 Energy -3687.761389176 Gradient 0.00010966
 C  -1.69682043  -0.24295403  -1.09675140
 C  -0.85631533   0.80554801  -0.30853339
 C   0.62499970   0.39542732  -0.61360705
 C   0.43717460  -0.92529446  -1.44234353
 C  -0.09158799  -0.36860977  -2.76273381
 C  -1.35637693   0.04073518  -2.55543938
 C  -0.86955491  -1.52677774  -0.87537752
 C  -0.62425471   0.59185708   1.21727606
 C   0.92484593   0.41403639   0.96069592
 H  -2.76405526  -0.27431420  -0.83287939
 H  -1.11934447   1.84058592  -0.56373470
 H   1.24384838   1.10523649  -1.18085064
 H   1.31917674  -1.57605685  -1.50117520
 H   0.51565545  -0.21671908  -3.65730061
 H  -1.99548696   0.58713933  -3.25190642
 H  -1.22962400  -2.36047761  -1.49695083
 H  -0.80684999  -1.85312991   0.17034510
 H  -1.10044698  -0.31293733   1.62550682
 H  -0.89749704   1.44062258   1.86308707
Si   1.85111963  -1.04954022   1.75654264
Cl   2.68948663  -0.59303511   3.59695281
Cl   0.61747334  -2.67909545   2.15020388
Cl   3.38010749  -1.70364428   0.51793996
Si   1.79348387   2.05918818   1.39968617
Cl   1.34140886   2.67972138   3.32372147
Cl   3.84577962   1.96547502   1.15902183
Cl   1.13637218   3.59533449   0.15812021
 27
 Energy -3687.761447788 Gradient 0.00008648
 C  -1.68337537  -0.25068761  -1.10895390
 C  -0.85198381   0.80207560  -0.31662886
 C   0.63273691   0.40008742  -0.61639391
 C   0.45581980  -0.91820304  -1.45113518
 C  -0.07307462  -0.36074433  -2.77102423
 C  -1.34122498   0.03918495  -2.56599286
 C  -0.84807980  -1.52966636  -0.88874782
 C  -0.62552190   0.58849477   1.20986771
 C   0.92501659   0.41475182   0.95981374
 H  -2.75099427  -0.28971664  -0.84767716
 H  -1.12004848   1.83560449  -0.57263130
 H   1.25070052   1.11539423  -1.17785455
 H   1.34197929  -1.56302449  -1.50990418
 H   0.53543514  -0.20220299  -3.66356626
 H  -1.98221898   0.58334913  -3.26248157
 H  -1.20143609  -2.36422869  -1.51299894
 H  -0.78548746  -1.85803642   0.15650095
 H  -1.10116266  -0.31750238   1.61599831
 H  -0.90348386   1.43663201   1.85460198
Si   1.84846928  -1.04924829   1.75958437
Cl   2.70875768  -0.59001378   3.58917887
Cl   0.60120006  -2.66327213   2.17508998
Cl   3.36419023  -1.72533371   0.51633660
Si   1.78894874   2.06043150   1.40227363
Cl   1.35227878   2.66940636   3.33323103
Cl   3.83865772   1.97055335   1.13832745
Cl   1.11419414   3.60184031   0.17684533
 27
 Energy -3687.761488958 Gradient 0.00006417
 C  -1.66971437  -0.26200515  -1.11950735
 C  -0.84952878   0.79649150  -0.32302234
 C   0.63924967   0.40651528  -0.61915149
 C   0.47594856  -0.90783097  -1.46206507
 C  -0.05638753  -0.34892196  -2.77983158
 C  -1.32875605   0.03729476  -2.57494175
 C  -0.82235636  -1.53417844  -0.90372567
 C  -0.62690348   0.58270643   1.20375248
 C   0.92501629   0.41529774   0.95888479
 H  -2.73720268  -0.31217112  -0.85958514
 H  -1.12546611   1.82794005  -0.57901242
 H   1.25414844   1.12987720  -1.17372330
 H   1.36798139  -1.54401981  -1.52302853
 H   0.55188213  -0.18059067  -3.67075317
 H  -1.97422478   0.57824387  -3.26981109
 H  -1.16744278  -2.36952187  -1.53149778
 H  -0.75754040  -1.86600406   0.14047800
 H  -1.10035774  -0.32529446   1.60791569
 H  -0.91017890   1.42964852   1.84787749
Si   1.84659577  -1.04917164   1.76142327
Cl   2.72816669  -0.58719854   3.58021130
Cl   0.58752008  -2.64855757   2.19887196
Cl   3.34908437  -1.74629859   0.51366090
Si   1.78364670   2.06164836   1.40558325
Cl   1.36142009   2.65909934   3.34309750
Cl   3.83077777   1.97736635   1.11978930
Cl   1.09160936   3.60794275   0.19604813
 27
 Energy -3687.761507614 Gradient 0.00004637
 C  -1.65629213  -0.27118272  -1.13092788
 C  -0.84594414   0.79171555  -0.33013183
 C   0.64634436   0.41174071  -0.62198351
 C   0.49475077  -0.90001337  -1.47101321
 C  -0.03892231  -0.34051522  -2.78786883
 C  -1.31475234   0.03492849  -2.58471638
 C  -0.79972658  -1.53748247  -0.91659866
 C  -0.62775362   0.57691987   1.19700616
 C   0.92559285   0.41555084   0.95764759
 H  -2.72386522  -0.33010964  -0.87320536
 H  -1.12852561   1.82155956  -0.58532680
 H   1.25916477   1.14135962  -1.17078604
 H   1.39139766  -1.52935006  -1.53259812
 H   0.56998811  -0.16472687  -3.67691154
 H  -1.96294194   0.57309009  -3.27921723
 H  -1.13750707  -2.37401043  -1.54675575
 H  -0.73417402  -1.87127231   0.12712356
 H  -1.09950520  -0.33296346   1.59883019
 H  -0.91621700   1.42241956   1.84081897
Si   1.84608530  -1.04930635   1.76224732
Cl   2.74970375  -0.58468594   3.56951041
Cl   0.57571857  -2.63392876   2.22150687
Cl   3.33496590  -1.76662471   0.50956865
Si   1.77746115   2.06312013   1.40977571
Cl   1.36788409   2.64730133   3.35382017
Cl   3.82199126   1.98709793   1.10305506
Cl   1.06712844   3.61374392   0.21637850
 27
 Energy -3687.761518876 Gradient 0.00002403
 C  -1.64041995  -0.28372729  -1.14436905
 C  -0.84116537   0.78488883  -0.33995898
 C   0.65497001   0.41517683  -0.62573431
 C   0.51648600  -0.89446511  -1.47990842
 C  -0.01794184  -0.33592677  -2.79672778
 C  -1.29752510   0.02806047  -2.59658637
 C  -0.77399936  -1.54353249  -0.92999891
 C  -0.62883545   0.57113111   1.18786510
 C   0.92621304   0.41563908   0.95575338
 H  -2.70814271  -0.35182514  -0.88954963
 H  -1.12967197   1.81254105  -0.59717090
 H   1.26585982   1.15088903  -1.16867206
 H   1.41808906  -1.51644405  -1.54092831
 H   0.59205246  -0.15310382  -3.68360555
 H  -1.94830631   0.56228113  -3.29171133
 H  -1.10351391  -2.38174968  -1.56226247
 H  -0.70828287  -1.87856526   0.11350977
 H  -1.09920525  -0.34020212   1.58792759
 H  -0.92321674   1.41591012   1.83002341
Si   1.84547632  -1.04853491   1.76438746
Cl   2.76897052  -0.58019914   3.56062313
Cl   0.56463261  -2.61864536   2.24493680
Cl   3.32194110  -1.78615922   0.50866483
Si   1.77009317   2.06505565   1.41293757
Cl   1.36885018   2.63801348   3.36190977
Cl   3.81278263   1.99880771   1.09127205
Cl   1.04333656   3.61834641   0.23302432
