  168
scf done: -4886.198492
 C    -6.658954    -1.872202     0.003326
 C    -7.119843    -1.047490    -1.174150
 C    -6.264586     0.214895    -1.365896
 C    -6.311125     0.988348    -0.025655
 C    -5.792134     0.111146     1.135111
 C    -5.902305     0.757545     2.527146
 O    -5.333513    -2.354217    -0.146381
 O    -7.155988    -1.799438    -2.369728
 O    -6.820758     0.982061    -2.417613
 O    -6.555077    -1.097936     1.177118
 O    -4.742368     1.503803     2.813572
 H    -7.338746     1.290354     0.183963
 H    -7.365335    -2.687287     0.166995
 H    -8.137487    -0.747089    -0.924334
 H    -5.252271    -0.081107    -1.645682
 H    -4.743632    -0.156986     0.992883
 H    -6.781019     1.398891     2.592326
 H    -5.992159    -0.026667     3.279204
 H    -7.401664    -1.199021    -3.080163
 H    -6.412753     1.856229    -2.411271
 H    -4.712598     2.245394     2.200651
 C    -6.029467     3.380850     0.003561
 C    -5.769871     4.284093    -1.177874
 C    -4.272473     4.572257    -1.368879
 C    -3.760011     5.155535    -0.029838
 C    -4.010806     4.168872     1.132679
 C    -3.627143     4.703507     2.522262
 O    -5.436305     2.100838    -0.143061
 O    -6.323935     3.772226    -2.371497
 O    -4.122971     5.504928    -2.423533
 O    -5.405622     3.856009     1.175940
 O    -2.281571     4.401461     2.809683
 H    -4.279935     6.098472     0.147850
 H    -7.105149     3.306265     0.168737
 H    -6.278316     5.217665    -0.933036
 H    -3.766861     3.645748    -1.645847
 H    -3.460822     3.237096     0.988354
 H    -3.785676     5.781390     2.568342
 H    -4.248846     4.217672     3.276338
 H    -6.071456     4.367566    -3.084132
 H    -3.216472     5.837297    -2.415914
 H    -1.731523     4.895784     2.192864
 C    -1.873256     6.652464    -0.001689
 C    -1.049908     7.107826    -1.182206
 C     0.213176     6.253082    -1.371508
 C     0.987401     6.304964    -0.031785
 C     0.112016     5.787503     1.131358
 C     0.758312     5.903173     2.522166
 O    -2.354750     5.326652    -0.148093
 O    -1.803327     7.134778    -2.376953
 O     0.978118     6.806790    -2.426290
 O    -1.097227     6.549969     1.172070
 O     1.513582     4.749844     2.810315
 H     1.289739     7.332302     0.175579
 H    -2.687858     7.358272     0.160379
 H    -0.751135     8.127688    -0.938134
 H    -0.083106     5.239097    -1.647157
 H    -0.155306     4.738526     0.993598
 H     1.392597     6.787024     2.586229
 H    -0.026063     5.989353     3.275201
 H    -1.205467     7.380443    -3.089042
 H     1.854354     6.402736    -2.417381
 H     2.253465     4.723466     2.194766
 C     3.380545     6.024332    -0.004935
 C     4.281677     5.762073    -1.187117
 C     4.571286     4.264207    -1.374843
 C     5.157320     3.756392    -0.035496
 C     4.172122     4.008461     1.126910
 C     4.709009     3.628709     2.516996
 O     2.100391     5.429274    -0.148604
 O     3.767025     6.312833    -2.382308
 O     5.501678     4.112821    -2.432265
 O     3.857574     5.403147     1.168218
 O     4.405812     2.284191     2.809028
 H     6.096908     4.274507     0.169986
 H     3.304889     7.099503     0.157657
 H     5.215726     6.272614    -0.945957
 H     3.643965     3.756921    -1.648685
 H     3.240811     3.456579     0.985368
 H     5.785438     3.787349     2.578676
 H     4.226814     4.253321     3.269461
 H     4.361915     6.060024    -3.094889
 H     5.833303     3.207041    -2.422611
 H     4.902353     1.732188     2.196103
 C     6.660098     1.874032    -0.003429
 C     7.117583     1.048336    -1.181255
 C     6.263919    -0.216697    -1.366388
 C     6.315312    -0.988192    -0.025816
 C     5.801151    -0.109098     1.136736
 C     5.926375    -0.750602     2.529975
 O     5.332503     2.351321    -0.151297
 O     7.145890     1.798985    -2.377108
 O     6.818028    -0.983079    -2.420099
 O     6.560790     1.101407     1.171905
 O     4.787157    -1.528262     2.815728
 H     7.343240    -1.291187     0.180885
 H     7.363534     2.691222     0.156094
 H     8.138109     0.750889    -0.934587
 H     5.250913     0.078774    -1.642915
 H     4.750459     0.154777     1.002782
 H     6.821183    -1.367038     2.597621
 H     5.993973     0.037317     3.280758
 H     7.403049     1.203919    -3.087426
 H     6.406031    -1.855515    -2.415040
 H     4.778676    -2.269900     2.200364
 C     6.030571    -3.381771     0.005420
 C     5.771266    -4.286203    -1.175542
 C     4.272904    -4.571162    -1.369687
 C     3.758515    -5.153655    -0.030281
 C     4.009661    -4.167860     1.131651
 C     3.624337    -4.704065     2.522218
 O     5.439266    -2.100328    -0.140243
 O     6.329105    -3.776912    -2.368399
 O     4.123187    -5.503154    -2.424011
 O     5.404621    -3.856100     1.177587
 O     2.278397    -4.399876     2.808553
 H     4.273042    -6.094094     0.178212
 H     7.106170    -3.307783     0.171768
 H     6.277247    -5.220303    -0.928831
 H     3.768868    -3.643236    -1.646780
 H     3.460835    -3.235344     0.988992
 H     3.782248    -5.779592     2.584008
 H     4.246183    -4.221339     3.276077
 H     6.081620    -4.374419    -3.080803
 H     3.215860    -5.833195    -2.418596
 H     1.728244    -4.893246     2.191561
 C     1.869772    -6.648763    -0.004254
 C     1.047461    -7.103492    -1.185800
 C    -0.216441    -6.250172    -1.374673
 C    -0.990179    -6.302492    -0.034658
 C    -0.114968    -5.783637     1.127436
 C    -0.761945    -5.894972     2.518246
 O     2.353191    -5.323763    -0.150036
 O     1.801389    -7.129158    -2.379350
 O    -0.981144    -6.803221    -2.429758
 O     1.093979    -6.545733     1.168879
 O    -1.507201    -4.734227     2.805717
 H    -1.290023    -7.331308     0.172068
 H     2.683901    -7.355925     0.158253
 H     0.748545    -8.124017    -0.942751
 H     0.079659    -5.235606    -1.650592
 H     0.153875    -4.734459     0.986305
 H    -1.404246    -6.772681     2.581771
 H     0.021110    -5.986617     3.271322
 H     1.202710    -7.372250    -3.093203
 H    -1.856799    -6.397079    -2.421509
 H    -2.244176    -4.698298     2.187640
 C    -3.383611    -6.026623    -0.005128
 C    -4.287737    -5.766508    -1.184772
 C    -4.578007    -4.268567    -1.371793
 C    -5.161535    -3.759804    -0.031521
 C    -4.174728    -4.013172     1.130062
 C    -4.711684    -3.637106     2.522142
 O    -2.105052    -5.429218    -0.151056
 O    -3.774479    -6.317011    -2.379960
 O    -5.510104    -4.115327    -2.426414
 O    -3.858381    -5.407031     1.169732
 O    -4.419169    -2.289915     2.812021
 H    -6.101105    -4.275935     0.175696
 H    -3.305612    -7.102162     0.157166
 H    -5.220634    -6.276849    -0.940415
 H    -3.651441    -3.761032    -1.646426
 H    -3.244562    -3.460420     0.989051
 H    -5.785745    -3.805539     2.586030
 H    -4.221147    -4.257615     3.273775
 H    -4.373545    -6.074668    -3.092437
 H    -5.831479    -3.206082    -2.424072
 H    -4.915759    -1.744016     2.193619
