 22
 Energy -350.0809953069 Gradient 0.00015121  HoF 196.17 kcal
 C  -0.08082034   0.60745957  -1.18299218
 C   0.87947233  -0.51238009  -1.68883770
 C   0.23790467  -1.70672968  -1.07392327
 C  -1.10899615  -1.41780116  -0.76641258
 C  -0.23353770  -0.88146606   0.66170018
 C   0.10282608   0.54112194   0.31569435
 C  -1.46017457  -0.06792415  -1.37502456
 C   0.50243455   1.50291404   1.15628645
 H   0.05643198   1.58984895  -1.65017548
 H   1.94139605  -0.38048272  -1.43453860
 H   0.71460098  -2.67885946  -0.91595130
 H  -1.83865471  -2.19240752  -0.51572763
 H  -1.09242286  -1.07593079   1.32790027
 H   0.59404288  -1.50197449   1.05579712
 H  -2.27668729   0.44645663  -0.84939046
 H  -1.73434122  -0.20233683  -2.43616833
 H   0.70828158   2.48964225   0.72308841
 C   0.68436336   1.37850917   2.63399226
 H   0.79534928  -0.63795652  -2.78965002
 H   0.02024751   2.08429010   3.16240420
 H   0.48277192   0.36587292   3.01390127
 H   1.71391496   1.65844826   2.91611446
 22
 Energy -350.0809204993 Gradient 0.00027171  HoF 196.22 kcal
 C  -0.09792307   0.61051997  -1.17728522
 C   0.88848873  -0.49582512  -1.67470647
 C   0.26062227  -1.70495921  -1.09574761
 C  -1.08650996  -1.42825716  -0.75858310
 C  -0.30213258  -0.86507249   0.67737621
 C   0.07545399   0.54480991   0.32211938
 C  -1.46001265  -0.08936656  -1.38997456
 C   0.52355499   1.49614199   1.15179914
 H   0.03425069   1.59379226  -1.64411501
 H   1.94894024  -0.35563206  -1.41666587
 H   0.75804529  -2.66524745  -0.92607094
 H  -1.80591681  -2.22141211  -0.53621539
 H  -1.18684607  -1.01691668   1.32085822
 H   0.50073317  -1.49170334   1.10986984
 H  -2.29156894   0.41201707  -0.87538523
 H  -1.71752549  -0.23133401  -2.45348493
 H   0.76013579   2.47232777   0.71030475
 C   0.71730032   1.37379078   2.62770710
 H   0.81250903  -0.60519495  -2.77976877
 H   0.08035037   2.10150378   3.16004469
 H   0.48931681   0.36973205   3.01506665
 H   1.75766262   1.62554097   2.89668825
 22
 Energy -350.0807562055 Gradient 0.00043717  HoF 196.32 kcal
 C  -0.11781039   0.61436583  -1.17214776
 C   0.89676899  -0.47668851  -1.65794708
 C   0.28447173  -1.69941434  -1.10716156
 C  -1.06639465  -1.44017925  -0.75584849
 C  -0.36531758  -0.84814203   0.69115897
 C   0.04601259   0.54980132   0.32793471
 C  -1.46046858  -0.11246275  -1.40667964
 C   0.54173791   1.48852426   1.14672892
 H   0.00704685   1.59835567  -1.63966438
 H   1.95429915  -0.32429463  -1.39287109
 H   0.80185697  -2.64770003  -0.92773938
 H  -1.77396592  -2.25041656  -0.55639332
 H  -1.28091295  -0.96004915   1.29906368
 H   0.40856528  -1.47545331   1.17049625
 H  -2.30963652   0.37330032  -0.90582904
 H  -1.69787337  -0.26144348  -2.47338943
 H   0.80500518   2.45445767   0.69780739
 C   0.75451352   1.36466679   2.61935463
 H   0.83183610  -0.57271207  -2.76627977
 H   0.15000129   2.11383966   3.15983366
 H   0.50070025   0.36985548   3.01417383
 H   1.80661808   1.58533696   2.86991146
 22
 Energy -350.0804712188 Gradient 0.00065070  HoF 196.50 kcal
 C  -0.13844260   0.61857366  -1.16798088
 C   0.90499449  -0.45637066  -1.63786004
 C   0.30779724  -1.69125178  -1.10930664
 C  -1.04897688  -1.45138454  -0.75583385
 C  -0.42471382  -0.83117774   0.70236705
 C   0.01487686   0.55570638   0.33304965
 C  -1.46042001  -0.13522851  -1.42538768
 C   0.55691197   1.47987192   1.14089998
 H  -0.02111965   1.60313872  -1.63635878
 H   1.95771608  -0.28939142  -1.36077336
 H   0.84295094  -2.62810151  -0.92078465
 H  -1.74426048  -2.27697246  -0.57519828
 H  -1.37076034  -0.90942212   1.26792207
 H   0.31819454  -1.45605177   1.22901289
 H  -2.32826060   0.33436830  -0.94120422
 H  -1.67496373  -0.29169926  -2.49550584
 H   0.84362882   2.43580504   0.68478835
 C   0.79490529   1.35150850   2.60866666
 H   0.85558017  -0.54251404  -2.74865048
 H   0.22806678   2.12152972   3.16068059
 H   0.51603174   0.36678074   3.01131751
 H   1.85909031   1.53827641   2.83551597
 22
 Energy -350.0800344531 Gradient 0.00093556  HoF 196.78 kcal
 C  -0.15904927   0.62255929  -1.16347233
 C   0.91325166  -0.43545588  -1.61453035
 C   0.33019115  -1.68184166  -1.10564594
 C  -1.03362906  -1.46246568  -0.75878767
 C  -0.48180365  -0.81574558   0.71112525
 C  -0.01733102   0.56111423   0.33884344
 C  -1.45928739  -0.15732866  -1.44563922
 C   0.56890905   1.47042884   1.13463948
 H  -0.04873757   1.60771860  -1.63233321
 H   1.95924311  -0.25281016  -1.32077749
 H   0.88141505  -2.60762735  -0.90821155
 H  -1.71660579  -2.30196871  -0.59456989
 H  -1.45675769  -0.86627790   1.22912473
 H   0.22811348  -1.43706741   1.28321269
 H  -2.34623134   0.29543095  -0.98013677
 H  -1.64866280  -0.32018752  -2.51929863
 H   0.87477499   2.41614523   0.66948749
 C   0.83808478   1.33888295   2.59606364
 H   0.88369544  -0.51312124  -2.72712464
 H   0.30591105   2.12442407   3.16066357
 H   0.54395268   0.36268490   3.00835919
 H   1.91223065   1.49958677   2.79495240
 22
 Energy -350.0794161516 Gradient 0.00140926  HoF 197.16 kcal
 C  -0.17795549   0.62618219  -1.15589105
 C   0.92179294  -0.41417335  -1.58835623
 C   0.35023452  -1.67235656  -1.10238925
 C  -1.02069215  -1.47260592  -0.76554442
 C  -0.53909684  -0.80614142   0.71762265
 C  -0.05045056   0.56148505   0.34793165
 C  -1.45613958  -0.17602556  -1.46644351
 C   0.57835372   1.45727162   1.12863217
 H  -0.07269122   1.61350908  -1.62149511
 H   1.95980272  -0.21832209  -1.27374248
 H   0.91475654  -2.58910244  -0.89997435
 H  -1.69256552  -2.32456281  -0.61929671
 H  -1.53980316  -0.83444919   1.18601042
 H   0.13692857  -1.42504507   1.33016958
 H  -2.36170065   0.25982544  -1.02089281
 H  -1.61827300  -0.34197998  -2.54388419
 H   0.89853007   2.39081271   0.64820206
 C   0.88457953   1.33427858   2.58250324
 H   0.91593311  -0.48011915  -2.70240033
 H   0.37650988   2.13012635   3.15520234
 H   0.59321761   0.36471062   3.01184343
 H   1.96540450   1.48811735   2.74848843
 22
 Energy -350.0784813644 Gradient 0.00313509  HoF 197.75 kcal
 C  -0.19605141   0.62844132  -1.14388507
 C   0.92847627  -0.39199553  -1.56049944
 C   0.36649347  -1.66317770  -1.10103328
 C  -1.01149776  -1.48480122  -0.78276480
 C  -0.59315957  -0.80387788   0.72165306
 C  -0.07927169   0.55520234   0.36157214
 C  -1.45411212  -0.19077230  -1.48543881
 C   0.59365342   1.43827323   1.12273857
 H  -0.09617612   1.62004694  -1.60154676
 H   1.95547754  -0.18439080  -1.21713636
 H   0.94201092  -2.57218636  -0.89484201
 H  -1.67336989  -2.34756374  -0.65389920
 H  -1.61965883  -0.81519554   1.13110505
 H   0.04363066  -1.42532440   1.37075960
 H  -2.37631712   0.22600983  -1.05577444
 H  -1.59080963  -0.34985058  -2.56732124
 H   0.92805828   2.35468917   0.61884436
 C   0.92918801   1.34427498   2.57149329
 H   0.95301938  -0.44280878  -2.67505557
 H   0.43558121   2.15656008   3.13419885
 H   0.64342501   0.38687680   3.03062441
 H   2.01342391   1.50223609   2.70956583
 22
 Energy -350.0769017911 Gradient 0.00440355  HoF 198.74 kcal
 C  -0.21199110   0.62526018  -1.13000787
 C   0.93013711  -0.37421642  -1.53977541
 C   0.37402965  -1.65940705  -1.10211697
 C  -1.00842551  -1.50863837  -0.83249413
 C  -0.62578613  -0.79177446   0.74656333
 C  -0.09518977   0.55041561   0.37868610
 C  -1.45693102  -0.20300697  -1.49867853
 C   0.61743233   1.42432254   1.11809404
 H  -0.12183297   1.62191204  -1.57913871
 H   1.94165629  -0.15502604  -1.15944180
 H   0.95627961  -2.56258427  -0.89132801
 H  -1.66408200  -2.37558866  -0.70155770
 H  -1.68403641  -0.81316813   1.05947654
 H  -0.02974939  -1.41814390   1.42640609
 H  -2.39115458   0.19022797  -1.07282406
 H  -1.57832425  -0.33253426  -2.58681960
 H   0.96655464   2.32302627   0.59201500
 C   0.95967963   1.36122481   2.56660752
 H   0.99087539  -0.40702335  -2.65257252
 H   0.46832788   2.18898991   3.10916630
 H   0.66874622   0.41719843   3.04953827
 H   2.04412502   1.51977242   2.70037689
 22
 Energy -350.0737802114 Gradient 0.00376027  HoF 200.70 kcal
 C  -0.22367896   0.61787293  -1.11834229
 C   0.92920494  -0.36357486  -1.52923840
 C   0.37465880  -1.66226646  -1.10878275
 C  -1.00861352  -1.53993743  -0.90537485
 C  -0.63865942  -0.76189468   0.80023834
 C  -0.10066793   0.54853472   0.39455514
 C  -1.46134689  -0.21348373  -1.50576123
 C   0.63969356   1.41879275   1.11534370
 H  -0.14515926   1.61910399  -1.55993958
 H   1.92624524  -0.13654413  -1.11765033
 H   0.95960080  -2.56336456  -0.89999777
 H  -1.66331620  -2.40454703  -0.75800348
 H  -1.72047752  -0.82346480   0.99473804
 H  -0.07207708  -1.38780526   1.50331788
 H  -2.40299274   0.15630042  -1.07513789
 H  -1.57965758  -0.30119232  -2.59954952
 H   1.00116959   2.30387050   0.57477963
 C   0.97501297   1.37430938   2.56518140
 H   1.01845590  -0.37617761  -2.63898992
 H   0.47661367   2.20738390   3.09338245
 H   0.67980521   0.43673915   3.05861115
 H   2.05764181   1.53614049   2.70653225
 22
 Energy -350.0704202559 Gradient 0.00234849  HoF 202.81 kcal
 C  -0.23367429   0.61010737  -1.10831554
 C   0.92846144  -0.35606965  -1.52207441
 C   0.37434923  -1.66765788  -1.12159015
 C  -1.00730810  -1.56933367  -0.97657753
 C  -0.64948541  -0.72609015   0.86082582
 C  -0.10430902   0.54535936   0.40830189
 C  -1.46483453  -0.22334309  -1.50993787
 C   0.65921175   1.41426719   1.11354263
 H  -0.16473111   1.61554248  -1.54291950
 H   1.91388202  -0.12479816  -1.08562564
 H   0.96242996  -2.56759789  -0.92044138
 H  -1.66240925  -2.43133390  -0.81929534
 H  -1.73883273  -0.83610729   0.94190692
 H  -0.10636666  -1.33837103   1.59241729
 H  -2.41127493   0.12582068  -1.07201995
 H  -1.58596627  -0.26984832  -2.60713235
 H   1.03280335   2.28728004   0.56149382
 C   0.98520072   1.38456908   2.56404782
 H   1.04039814  -0.34531388  -2.62836465
 H   0.47957842   2.22188885   3.07982488
 H   0.68674020   0.45276913   3.06611457
 H   2.06568874   1.55443101   2.71132896
 22
 Energy -350.0679673697 Gradient 0.00097223  HoF 204.35 kcal
 C  -0.24288363   0.60204784  -1.09813666
 C   0.92835442  -0.34970472  -1.51564811
 C   0.37448570  -1.67416358  -1.13999463
 C  -1.00388835  -1.59594746  -1.04351999
 C  -0.66328162  -0.68832578   0.92210136
 C  -0.10807906   0.54004016   0.42119346
 C  -1.46760281  -0.23315942  -1.51264288
 C   0.67788731   1.40892786   1.11237245
 H  -0.18271109   1.61135897  -1.52567442
 H   1.90369118  -0.11798899  -1.05706351
 H   0.96635975  -2.57366139  -0.95149096
 H  -1.65919715  -2.45775314  -0.88734725
 H  -1.74543271  -0.85380202   0.89677309
 H  -0.14456611  -1.27387165   1.69133322
 H  -2.41725254   0.09557123  -1.06468911
 H  -1.59621753  -0.23916106  -2.61096714
 H   1.06550755   2.26802770   0.54834690
 C   0.99381561   1.39526788   2.56264036
 H   1.06052023  -0.31309267  -2.61808913
 H   0.48325044   2.23824213   3.06531088
 H   0.69106827   0.47022500   3.07456973
 H   2.07268167   1.57154104   2.71457622
 22
 Energy -350.0666585612 Gradient 0.00002575  HoF 205.17 kcal
 C  -0.25133714   0.59319351  -1.08692236
 C   0.92898510  -0.34398639  -1.50941627
 C   0.37545828  -1.68129632  -1.16415363
 C  -0.99884027  -1.61970809  -1.10608508
 C  -0.68009007  -0.65106654   0.98206327
 C  -0.11307192   0.53287815   0.43382919
 C  -1.47013053  -0.24299835  -1.51420970
 C   0.69513288   1.40252591   1.11186477
 H  -0.19859552   1.60632909  -1.50726952
 H   1.89466367  -0.11430411  -1.02876164
 H   0.97217765  -2.58003467  -0.99051060
 H  -1.65352054  -2.48365967  -0.96116467
 H  -1.74184912  -0.87782168   0.86069445
 H  -0.18901274  -1.19508750   1.79751386
 H  -2.42109867   0.06579930  -1.05352591
 H  -1.60913475  -0.20838290  -2.61149453
 H   1.09873254   2.24564329   0.53478994
 C   1.00259804   1.40737245   2.56079340
 H   1.08201344  -0.27882534  -2.60695751
 H   0.49141917   2.26068164   3.04714417
 H   0.69265642   0.49308558   3.08684033
 H   2.08047958   1.58828142   2.71545538
 22
 Energy -350.0663047363  ZPE 0.188270  G(298.15) 97.72  HoF 205.39 kcal
 C  -0.25832515   0.58282914  -1.07437648
 C   0.93039243  -0.33953801  -1.50368885
 C   0.37726823  -1.68926255  -1.19424476
 C  -0.99288157  -1.64085482  -1.16448497
 C  -0.70017343  -0.61541735   1.03969123
 C  -0.11972275   0.52446273   0.44678066
 C  -1.47252032  -0.25295211  -1.51428735
 C   0.71057578   1.39470408   1.11221810
 H  -0.21242430   1.59978086  -1.48705916
 H   1.88696888  -0.11536266  -1.00129821
 H   0.97877847  -2.58805766  -1.04035700
 H  -1.64597335  -2.50898379  -1.03958165
 H  -1.73050505  -0.90870395   0.83578320
 H  -0.24124321  -1.10693245   1.90473209
 H  -2.42281884   0.03552891  -1.03765458
 H  -1.62525012  -0.17846354  -2.60826647
 H   1.13272917   2.21842066   0.52027407
 C   1.01218402   1.42115909   2.55877377
 H   1.10418165  -0.24424474  -2.59529958
 H   0.50603437   2.28907974   3.02614391
 H   0.69237136   0.52123075   3.10262176
 H   2.09035373   1.60157767   2.71358029
 22
 Energy -350.0665477704 Gradient 0.00002575  HoF 205.24 kcal
 C  -0.26333233   0.57081229  -1.06033302
 C   0.93273334  -0.33649704  -1.49837389
 C   0.37989857  -1.69776624  -1.23005045
 C  -0.98649839  -1.65937867  -1.21926505
 C  -0.72333014  -0.58152145   1.09397222
 C  -0.12687469   0.51541343   0.46065807
 C  -1.47460722  -0.26273003  -1.51244119
 C   0.72434109   1.38630794   1.11350779
 H  -0.22359441   1.59151957  -1.46522255
 H   1.88011538  -0.12165002  -0.97338308
 H   0.98614594  -2.59699596  -1.10032687
 H  -1.63736769  -2.53242262  -1.12062455
 H  -1.71468330  -0.94214704   0.82271365
 H  -0.30062097  -1.01415195   2.00670798
 H  -2.42218137   0.00531616  -1.01720768
 H  -1.64356459  -0.14884059  -2.60090217
 H   1.16688332   2.18724725   0.50507556
 C   1.02187968   1.43820475   2.55699058
 H   1.12815999  -0.20906333  -2.58254863
 H   0.52546907   2.32476805   3.00138649
 H   0.68951621   0.55668922   3.12216275
 H   2.10129610   1.61373242   2.71062988
 22
 Energy -350.0670704822 Gradient 0.00054339  HoF 204.91 kcal
 C  -0.26630171   0.55762231  -1.04456857
 C   0.93596288  -0.33485052  -1.49292727
 C   0.38313122  -1.70626775  -1.27059089
 C  -0.98019877  -1.67521289  -1.27160091
 C  -0.74815008  -0.55023979   1.14425032
 C  -0.13422340   0.50638505   0.47610382
 C  -1.47623529  -0.27177560  -1.50889674
 C   0.73609905   1.37806738   1.11597798
 H  -0.23185758   1.58203001  -1.44150090
 H   1.87428159  -0.13295087  -0.94536176
 H   0.99364024  -2.60610624  -1.16891502
 H  -1.62835471  -2.55298234  -1.20314216
 H  -1.69730583  -0.97440773   0.82131220
 H  -0.36396983  -0.92222122   2.09900299
 H  -2.41965313  -0.02445790  -0.99388862
 H  -1.66228598  -0.11868030  -2.58985144
 H   1.20006130   2.15316856   0.48987571
 C   1.03149166   1.45975111   2.55562170
 H   1.15294166  -0.17374888  -2.56807921
 H   0.55576661   2.37212394   2.97157726
 H   0.67953304   0.60386305   3.14674466
 H   2.11414356   1.61988640   2.70611353
 22
 Energy -350.0676267926 Gradient 0.00072089  HoF 204.56 kcal
 C  -0.26771796   0.54308710  -1.02729083
 C   0.93955514  -0.33507340  -1.48763192
 C   0.38649782  -1.71483679  -1.31514876
 C  -0.97442424  -1.68895991  -1.32228271
 C  -0.77311572  -0.52243817   1.19029148
 C  -0.14122433   0.49759631   0.49326675
 C  -1.47765400  -0.28060769  -1.50317867
 C   0.74624302   1.37007069   1.11966590
 H  -0.23797867   1.57093209  -1.41653626
 H   1.86921536  -0.14948983  -0.91851807
 H   1.00032578  -2.61552159  -1.24619230
 H  -1.62001170  -2.57046023  -1.28675433
 H  -1.68095010  -1.00309827   0.83000180
 H  -0.42747791  -0.83700470   2.17922078
 H  -2.41553640  -0.05527465  -0.96710206
 H  -1.68253296  -0.08885982  -2.57453929
 H   1.23246277   2.11581891   0.47475658
 C   1.04052861   1.48527163   2.55475851
 H   1.17664395  -0.13920157  -2.55239682
 H   0.59923466   2.43010616   2.93639321
 H   0.65969569   0.66353217   3.17480535
 H   2.12822859   1.61559906   2.70169989
 22
 Energy -350.0680763315 Gradient 0.00064492  HoF 204.28 kcal
 C  -0.26790648   0.52714861  -1.00886391
 C   0.94310134  -0.33773116  -1.48242711
 C   0.38915525  -1.72358180  -1.36324001
 C  -0.96992730  -1.70112137  -1.37165320
 C  -0.79482568  -0.49878710   1.23263206
 C  -0.14656595   0.48914779   0.51172781
 C  -1.47923294  -0.28969111  -1.49486647
 C   0.75514621   1.36342911   1.12411551
 H  -0.24214451   1.55790153  -1.39155379
 H   1.86430820  -0.17197514  -0.89252873
 H   1.00542214  -2.62464816  -1.33017794
 H  -1.61337887  -2.58471460  -1.36960101
 H  -1.66550395  -1.02716765   0.84758012
 H  -0.48450519  -0.76105390   2.24777580
 H  -2.41040124  -0.08671773  -0.93747709
 H  -1.70371349  -0.05965598  -2.55466247
 H   1.26277544   2.07790885   0.46018125
 C   1.04706862   1.51566049   2.55421656
 H   1.19971176  -0.10600422  -2.53507999
 H   0.65210126   2.49648845   2.89495227
 H   0.62871770   0.73724046   3.20421942
 H   2.13978381   1.60421252   2.70083755
 22
 Energy -350.068291015 Gradient 0.00043221  HoF 204.15 kcal
 C  -0.26544085   0.51035255  -0.99010752
 C   0.94616253  -0.34448903  -1.47920756
 C   0.38846392  -1.73300660  -1.41494937
 C  -0.96910951  -1.71048986  -1.41989577
 C  -0.80843749  -0.48065527   1.27121680
 C  -0.14743849   0.48079345   0.53069826
 C  -1.48119655  -0.29699362  -1.48331382
 C   0.76495574   1.35783454   1.13030414
 H  -0.24226986   1.54358097  -1.36688173
 H   1.86055677  -0.20353575  -0.87178469
 H   1.00491443  -2.63455653  -1.42096689
 H  -1.61289796  -2.59316901  -1.45151418
 H  -1.64753412  -1.04888895   0.87187519
 H  -0.52689133  -0.69835290   2.30484385
 H  -2.40335977  -0.11631522  -0.90279330
 H  -1.72738041  -0.02858992  -2.52913322
 H   1.29716731   2.03878873   0.45043605
 C   1.04663389   1.55169723   2.55578192
 H   1.21970880  -0.07709288  -2.51882757
 H   0.70232492   2.56677033   2.84829294
 H   0.58407453   0.82312287   3.23256549
 H   2.14165106   1.59234203   2.71161702
