  168
scf done: -3837.003674
 C    -3.123345    -1.433118     0.699747
 C    -4.294408    -1.693198     0.851830
 H    -5.332544    -1.939990     0.973181
 C    -1.704593    -1.093125     0.556267
 H    -1.184406    -1.365428     1.481673
 H    -1.591507    -0.007242     0.424193
 N    -1.080169    -1.827070    -0.550099
 H    -1.609710    -1.767346    -1.423157
 C     0.267199    -1.537461    -0.731960
 C     1.184372    -1.007239     0.147730
 C     2.457506    -1.076735    -0.514406
 H     0.983828    -0.635161     1.143193
 C     2.238698    -1.647119    -1.794255
 C     3.762803    -0.743272    -0.133010
 C     3.277513    -1.881722    -2.694836
 N     0.883694    -1.890422    -1.907986
 C     4.564536    -1.532552    -2.294306
 H     3.090720    -2.344037    -3.660291
 C     4.802513    -0.974445    -1.023631
 H     5.401423    -1.713906    -2.963991
 H     5.820425    -0.749609    -0.722929
 H     0.436520    -2.402949    -2.660583
 H     3.955656    -0.308815     0.844204
 C     5.022522    -3.112009     4.289087
 C     5.307943    -1.730605     3.701983
 H     5.992085    -1.200709     4.382443
 C     5.999739    -1.881413     2.344775
 H     6.966019    -2.388293     2.453969
 H     5.378220    -2.484793     1.668103
 H     6.181501    -0.914833     1.859550
 C     4.024087    -0.895046     3.606695
 H     3.388721    -1.296033     2.801555
 H     3.454068    -1.017562     4.537542
 C     4.285848     0.594076     3.383272
 H     4.874613     1.005424     4.211760
 H     4.842198     0.783013     2.457317
 H     3.350474     1.162058     3.333261
 C     1.502887    -6.433636    -0.722649
 C     2.146628    -5.113013    -1.134960
 H     2.392651    -5.133115    -2.203239
 H     1.433655    -4.290498    -0.997429
 C     3.434964    -4.823499    -0.352304
 H     4.161824    -5.625361    -0.511901
 H     3.887852    -3.885635    -0.703479
 C     3.184603    -4.739068     1.140267
 O     3.699940    -5.536668     1.942898
 N     2.350483    -3.764984     1.534367
 H     1.920129    -3.153147     0.845896
 H     2.095047    -3.655173     2.509794
 C     8.593391     4.072506    -2.240150
 C     7.457690     3.398456    -1.463481
 H     7.251765     3.971082    -0.552705
 H     6.542941     3.420207    -2.069999
 C     7.785475     1.972803    -1.089264
 C     8.144406     1.629793     0.218518
 H     8.154446     2.399372     0.987801
 C     8.484876     0.320348     0.562913
 H     8.749374     0.063904     1.586353
 C     8.471991    -0.669956    -0.417988
 O     8.774314    -1.983441    -0.140054
 H     8.981402    -2.076926     0.805097
 C     8.118817    -0.353811    -1.729825
 H     8.085420    -1.143873    -2.474116
 C     7.772659     0.955703    -2.052791
 H     7.461463     1.183822    -3.070871
 C     5.352874     5.356675    -0.427906
 C     4.676279     4.125253     0.183119
 H     5.431533     3.376826     0.451073
 H     4.174287     4.419410     1.113435
 C     3.670270     3.498760    -0.752488
 C     3.869925     2.217100    -1.275696
 H     4.760406     1.656638    -0.990794
 C     2.939612     1.642258    -2.144740
 H     3.113306     0.642879    -2.535852
 C     1.792505     2.346512    -2.506615
 H     1.065120     1.900447    -3.180002
 C     1.586020     3.632311    -1.998410
 H     0.699884     4.190935    -2.286273
 C     2.515593     4.200742    -1.129575
 H     2.341702     5.197890    -0.728800
 C    -3.689531     6.130639     3.696110
 C    -3.621812     5.927955     2.188309
 H    -3.203216     4.943233     1.949694
 H    -2.997133     6.694061     1.719530
 S    -5.303443     6.046555     1.496436
 C    -4.919769     5.942449    -0.283441
 H    -4.192105     6.715725    -0.533630
 H    -5.856618     6.196346    -0.789508
 C    -4.458829     4.578179    -0.733864
 C    -5.351020     3.517299    -0.643569
 C    -4.995223     2.244384    -1.114014
 H    -6.337072     3.695792    -0.227254
 C    -3.149750     4.384249    -1.265126
 C    -2.125847     5.485222    -1.295735
 H    -1.948779     5.888920    -0.293120
 H    -1.185787     5.085573    -1.683068
 H    -2.436984     6.317485    -1.936544
 C    -2.816701     3.137275    -1.745979
 H    -1.832628     2.951164    -2.170517
 C    -3.717728     2.059153    -1.693002
 N    -3.334473     0.855779    -2.198403
 C    -4.197626    -0.106584    -2.185691
 C    -3.789047    -1.412315    -2.750451
 O    -2.646869    -1.650371    -3.133124
 N    -4.799910    -2.320202    -2.825950
 H    -4.568516    -3.243212    -3.192094
 C    -6.085450    -2.167680    -2.279174
 O    -6.862825    -3.119972    -2.372561
 N    -6.434976    -0.987867    -1.699864
 C    -5.543066    -0.014509    -1.649304
 N    -5.861292     1.164507    -1.054765
 C    -7.120649     1.300944    -0.312436
 C    -4.655965     2.576267     3.396038
 C    -4.009544     1.267902     2.930904
 H    -4.024541     0.536841     3.747201
 H    -4.611944     0.842194     2.116730
 C    -2.583505     1.448733     2.462352
 C    -2.287502     2.315796     1.401331
 H    -3.099566     2.852529     0.915099
 C    -0.983349     2.503223     0.950969
 H    -0.761175     3.167965     0.118439
 C     0.061048     1.809566     1.566856
 O     1.327673     2.009494     1.078788
 H     1.946617     1.388867     1.501073
 C    -0.202482     0.950935     2.632489
 H     0.616321     0.412399     3.106718
 C    -1.517950     0.778514     3.069103
 H    -1.715259     0.095157     3.892478
 C    -7.419424    -4.214434     0.914808
 C    -6.703482    -5.459031     0.378752
 H    -6.984325    -6.326119     0.988826
 H    -7.039299    -5.664315    -0.644118
 C    -5.203127    -5.287007     0.398314
 C    -4.496846    -5.337398     1.607614
 H    -5.032932    -5.557969     2.528936
 C    -3.125998    -5.095837     1.657848
 H    -2.587754    -5.116069     2.601613
 C    -2.436644    -4.783625     0.485167
 O    -1.090720    -4.490112     0.561078
 H    -0.946852    -3.664171     0.029858
 C    -3.110802    -4.767481    -0.736524
 H    -2.561644    -4.546547    -1.650055
 C    -4.483578    -5.018081    -0.769356
 H    -5.002818    -5.012470    -1.724138
 H    -7.542002     0.311854    -0.164416
 H    -7.821225     1.922661    -0.875287
 H    -6.902599     1.760600     0.653206
 H    -4.054347     3.051988     4.179535
 H    -5.657184     2.389254     3.800106
 H    -4.763549     3.282710     2.564040
 H    -4.387846     5.422984     4.155221
 H    -4.016354     7.145914     3.942519
 H    -2.701559     5.969842     4.138697
 H     5.834618     5.108681    -1.380342
 H     6.116221     5.757130     0.247743
 H     4.619626     6.148035    -0.617698
 H     9.512455     4.092051    -1.643895
 H     8.330629     5.104366    -2.497945
 H     8.804288     3.532519    -3.169830
 H     5.950931    -3.677150     4.436116
 H     4.394285    -3.690968     3.600099
 H     4.510265    -3.043521     5.255593
 H     1.236808    -6.432586     0.341446
 H     2.188961    -7.271173    -0.894747
 H     0.586642    -6.620274    -1.292588
 H    -7.120979    -4.010416     1.949339
 H    -8.506495    -4.347083     0.893277
 H    -7.169823    -3.334524     0.310868
