 80
 Energy -1470.33570846    Point 41   Kin_en 0.780
  C  -1.448474  -5.321112   0.073516
  C  -0.969519  -3.999719  -0.581230
  C  -0.311861  -3.025686   0.414550
  C   1.029170  -3.766236   0.591718
  C   0.763003  -5.056811   1.413458
  C  -0.213413  -6.017963   0.706857
  C  -0.163080  -1.593919  -0.145388
  C   0.905633  -0.750105   0.624033
  C   2.244067  -1.533011   0.542036
  C   2.174076  -2.934639   1.165504
  C  -1.514603  -0.873309  -0.225211
  C  -1.378281   0.518135  -0.855671
  C  -0.379814   1.385252  -0.064891
  C   1.037477   0.695199  -0.074800
  C   2.003713   3.047798   0.262348
  C   2.029410   1.584009   0.708936
  C   0.614826   3.660794   0.502653
  C  -2.536497  -5.034403   1.125658
  C  -2.045184  -6.230041  -1.016438
  O   0.114327  -4.305449  -1.524075
  C   1.312773  -4.201718  -0.857069
  O   2.366317  -4.450291  -1.382771
  H  -0.878779  -2.997381   1.358619
  C   0.530609  -0.621555   2.121617
  H   0.210878  -1.704748  -1.180265
  C   1.603466   0.536180  -1.507705
  H  -0.713000   1.348727   0.990072
  C  -0.321950   3.237617  -1.902712
  H   0.332704   3.364469   1.536574
  C  -1.880717   3.391623   0.080422
  C  -2.374304   4.697744  -0.511271
  O  -1.717278   5.845241  -0.159991
  C  -0.740586   5.827133   0.899436
  C   0.642927   5.233217   0.566079
  C  -0.457525   2.942230  -0.392833
  C   1.209666   5.921601  -0.690187
  C   1.514469   5.649837   1.778769
  O  -3.287599   4.774808  -1.297297
  H  -1.777965  -3.549134  -1.179616
  H   0.372578  -4.745497   2.399238
  H   1.719025  -5.577884   1.594257
  H  -0.552516  -6.799531   1.408632
  H   0.333647  -6.540611  -0.096790
  H   3.047412  -0.962663   1.038808
  H   2.539414  -1.651986  -0.512720
  H   2.067196  -2.875771   2.262111
  H   3.117516  -3.469591   0.958521
  H  -2.228678  -1.471873  -0.817666
  H  -1.950489  -0.781304   0.787638
  H  -2.374406   0.986174  -0.894416
  H  -1.051669   0.410383  -1.903905
  H   2.294435   3.140299  -0.797455
  H   2.767955   3.595577   0.835041
  H   1.788032   1.562652   1.785363
  H   3.051494   1.181639   0.602179
  H  -3.339201  -4.403992   0.705628
  H  -2.994451  -5.982732   1.451498
  H  -2.143469  -4.531054   2.022144
  H  -2.969351  -5.792431  -1.431179
  H  -1.328244  -6.371012  -1.839458
  H  -2.297046  -7.218748  -0.598230
  H   1.386943  -0.260613   2.712188
  H  -0.312323   0.059567   2.303822
  H   0.246668  -1.596680   2.542966
  H   1.023523  -0.154177  -2.135300
  H   1.631745   1.496706  -2.035233
  H   2.637498   0.162305  -1.471786
  H  -0.680419   4.245890  -2.153324
  H   0.716637   3.169746  -2.252057
  H  -0.924155   2.532176  -2.494544
  H  -2.637127   2.660516  -0.228401
  H  -1.894068   3.432076   1.183998
  H  -0.610023   6.894343   1.138197
  H  -1.158871   5.336283   1.797528
  H   1.346185   6.998758  -0.494688
  H   2.192215   5.505278  -0.960883
  H   0.539598   5.826902  -1.554258
  H   1.474884   6.743021   1.916394
  H   1.163447   5.174573   2.710683
  H   2.570399   5.380097   1.635807
 80
 Energy -1470.33562007    Point 40   Kin_en 1.038
  C  -1.440410  -5.329170   0.064137
  C  -0.958026  -4.007943  -0.588047
  C  -0.317800  -3.026799   0.412613
  C   1.023571  -3.761715   0.611134
  C   0.749889  -5.047959   1.437039
  C  -0.212684  -6.016762   0.721877
  C  -0.169131  -1.596573  -0.152082
  C   0.893948  -0.746743   0.617320
  C   2.234328  -1.527907   0.556648
  C   2.159537  -2.923634   1.192608
  C  -1.521971  -0.877642  -0.235782
  C  -1.392066   0.517222  -0.862517
  C  -0.387100   1.385512  -0.080234
  C   1.027981   0.690827  -0.096473
  C   2.004462   3.042509   0.223423
  C   2.035059   1.578622   0.668634
  C   0.618703   3.654158   0.483287
  C  -2.548543  -5.043872   1.095297
  C  -2.012375  -6.246588  -1.032092
  O   0.139988  -4.313220  -1.514517
  C   1.328469  -4.204082  -0.831143
  O   2.389844  -4.452666  -1.340872
  H  -0.897019  -2.996961   1.349265
  C   0.507514  -0.605322   2.111168
  H   0.208651  -1.710824  -1.185007
  C   1.579402   0.519049  -1.533641
  H  -0.714543   1.353281   0.976232
  C  -0.332262   3.236838  -1.919763
  H   0.346444   3.346968   1.516785
  C  -1.881245   3.396584   0.068612
  C  -2.363929   4.721282  -0.491074
  O  -1.725653   5.859701  -0.082655
  C  -0.728767   5.805218   0.955625
  C   0.646599   5.225445   0.567203
  C  -0.461602   2.942790  -0.409311
  C   1.166617   5.934354  -0.697610
  C   1.558540   5.628402   1.754585
  O  -3.260967   4.822335  -1.293194
  H  -1.759715  -3.562497  -1.199352
  H   0.344441  -4.731986   2.415274
  H   1.704885  -5.564727   1.634830
  H  -0.560050  -6.794931   1.423371
  H   0.348624  -6.542825  -0.069640
  H   3.030741  -0.951540   1.057369
  H   2.542174  -1.656392  -0.493473
  H   2.039383  -2.855133   2.287208
  H   3.106315  -3.458675   1.001814
  H  -2.233324  -1.477005  -0.830839
  H  -1.960366  -0.789823   0.776296
  H  -2.389575   0.983300  -0.887998
  H  -1.077632   0.414090  -1.914801
  H   2.281060   3.136582  -0.840036
  H   2.776774   3.588292   0.786554
  H   1.814240   1.557528   1.749560
  H   3.054114   1.174231   0.542844
  H  -3.349020  -4.423467   0.656573
  H  -3.004186  -5.993468   1.420720
  H  -2.175063  -4.530190   1.994302
  H  -2.931093  -5.816050  -1.465947
  H  -1.279708  -6.387629  -1.841099
  H  -2.266552  -7.234563  -0.613581
  H   1.356620  -0.230949   2.703860
  H  -0.342804   0.069042   2.282351
  H   0.229882  -1.579094   2.539827
  H   0.973171  -0.146682  -2.162634
  H   1.637190   1.482089  -2.054784
  H   2.600549   0.110773  -1.506617
  H  -0.690679   4.245158  -2.170354
  H   0.704175   3.165021  -2.274718
  H  -0.939614   2.532126  -2.507333
  H  -2.642275   2.679936  -0.262346
  H  -1.898678   3.410036   1.172939
  H  -0.595288   6.863533   1.229422
  H  -1.126146   5.280561   1.844227
  H   1.311116   7.008215  -0.490087
  H   2.138121   5.521629  -1.010661
  H   0.465151   5.854129  -1.537791
  H   1.508156   6.717656   1.917280
  H   1.251650   5.128046   2.688929
  H   2.612033   5.379148   1.564591
 80
 Energy -1470.33513661    Point 39   Kin_en 1.053
  C  -1.434514  -5.336841   0.053889
  C  -0.949372  -4.014219  -0.593453
  C  -0.323080  -3.030334   0.413705
  C   1.018179  -3.761289   0.626966
  C   0.739136  -5.047021   1.451883
  C  -0.212166  -6.019683   0.726714
  C  -0.174334  -1.600228  -0.151709
  C   0.884631  -0.746257   0.617958
  C   2.225941  -1.526748   0.573294
  C   2.146529  -2.918919   1.216747
  C  -1.527956  -0.882549  -0.237081
  C  -1.401853   0.512889  -0.864513
  C  -0.391787   1.384012  -0.091299
  C   1.021318   0.685710  -0.107038
  C   2.005636   3.038433   0.200568
  C   2.035390   1.574530   0.647390
  C   0.620461   3.649737   0.464140
  C  -2.555683  -5.054846   1.071751
  C  -1.990184  -6.257217  -1.048267
  O   0.159545  -4.316945  -1.507832
  C   1.339762  -4.205619  -0.810870
  O   2.407690  -4.453882  -1.306941
  H  -0.911909  -3.001738   1.344482
  C   0.488771  -0.594908   2.108519
  H   0.205595  -1.715370  -1.183624
  C   1.566783   0.504605  -1.545339
  H  -0.716522   1.360758   0.966026
  C  -0.322414   3.223413  -1.942737
  H   0.351950   3.337167   1.497142
  C  -1.879599   3.401204   0.038087
  C  -2.341827   4.751703  -0.476877
  O  -1.755601   5.873319   0.039029
  C  -0.723515   5.769046   1.037072
  C   0.638475   5.220709   0.559767
  C  -0.459920   2.940124  -0.430330
  C   1.067986   5.950442  -0.726863
  C   1.617925   5.627645   1.690427
  O  -3.195514   4.889094  -1.320406
  H  -1.745618  -3.571291  -1.213723
  H   0.321526  -4.731078   2.424988
  H   1.693361  -5.560674   1.661158
  H  -0.565213  -6.798175   1.425006
  H   0.360007  -6.544918  -0.057551
  H   3.017160  -0.946843   1.078003
  H   2.543768  -1.661134  -0.473150
  H   2.014771  -2.844698   2.309601
  H   3.095976  -3.453601   1.038724
  H  -2.238487  -1.483048  -0.832061
  H  -1.966760  -0.795579   0.774813
  H  -2.399893   0.978078  -0.881847
  H  -1.096107   0.408928  -1.919255
  H   2.281801   3.132826  -0.863104
  H   2.779293   3.581358   0.763718
  H   1.823134   1.556313   1.730163
  H   3.052655   1.167885   0.514801
  H  -3.351550  -4.434664   0.624384
  H  -3.014088  -6.005576   1.389853
  H  -2.193879  -4.542273   1.976163
  H  -2.905858  -5.830905  -1.492575
  H  -1.247942  -6.395648  -1.848930
  H  -2.244825  -7.246020  -0.631961
  H   1.332349  -0.211425   2.703328
  H  -0.366325   0.075533   2.270226
  H   0.213995  -1.567223   2.542446
  H   0.946812  -0.147394  -2.175203
  H   1.642299   1.468313  -2.063289
  H   2.579832   0.076552  -1.520570
  H  -0.717628   4.213133  -2.210857
  H   0.720554   3.186801  -2.284072
  H  -0.894534   2.489485  -2.529756
  H  -2.642813   2.707048  -0.333636
  H  -1.916075   3.374706   1.141918
  H  -0.588464   6.811886   1.363265
  H  -1.082480   5.191030   1.909226
  H   1.220621   7.022198  -0.514495
  H   2.018682   5.546855  -1.108770
  H   0.313615   5.878838  -1.520347
  H   1.539569   6.709937   1.885047
  H   1.398789   5.093690   2.630939
  H   2.663235   5.424867   1.418017
 80
 Energy -1470.33420513    Point 38   Kin_en 1.054
  C  -1.431194  -5.344126   0.047344
  C  -0.945031  -4.020061  -0.596482
  C  -0.326892  -3.034695   0.414526
  C   1.014250  -3.763357   0.636148
  C   0.732356  -5.049658   1.459303
  C  -0.211580  -6.024520   0.727464
  C  -0.177272  -1.604268  -0.150640
  C   0.877690  -0.747947   0.621873
  C   2.219726  -1.527497   0.587732
  C   2.137271  -2.918803   1.232762
  C  -1.530977  -0.887217  -0.239369
  C  -1.405363   0.508364  -0.867280
  C  -0.394072   1.381967  -0.098210
  C   1.017771   0.681794  -0.107352
  C   2.006778   3.035781   0.195347
  C   2.030044   1.572540   0.646967
  C   0.620430   3.648093   0.449268
  C  -2.558955  -5.065571   1.058784
  C  -1.977986  -6.265176  -1.058744
  O   0.170159  -4.320406  -1.504061
  C   1.345738  -4.207188  -0.799583
  O   2.417220  -4.453568  -1.288887
  H  -0.921517  -3.007032   1.341699
  C   0.472915  -0.592146   2.109590
  H   0.205785  -1.719574  -1.181313
  C   1.567020   0.496971  -1.543567
  H  -0.720477   1.367146   0.958708
  C  -0.302353   3.205907  -1.964362
  H   0.349879   3.336201   1.482089
  C  -1.876361   3.405173   0.003543
  C  -2.315338   4.780934  -0.464841
  O  -1.790969   5.876076   0.161504
  C  -0.720386   5.733246   1.111900
  C   0.623870   5.219752   0.546599
  C  -0.454925   2.936022  -0.449533
  C   0.956264   5.962227  -0.761512
  C   1.667836   5.645392   1.609990
  O  -3.116738   4.960262  -1.351204
  H  -1.738392  -3.578704  -1.221606
  H   0.307148  -4.734618   2.429414
  H   1.686273  -5.561077   1.675330
  H  -0.567263  -6.804226   1.423069
  H   0.367220  -6.547894  -0.053170
  H   3.006863  -0.946150   1.097120
  H   2.545053  -1.662999  -0.456281
  H   1.997541  -2.843161   2.324529
  H   3.088651  -3.452540   1.062404
  H  -2.240096  -1.488051  -0.835774
  H  -1.972038  -0.800531   0.771520
  H  -2.403615   0.973169  -0.882304
  H  -1.102327   0.402618  -1.922698
  H   2.293180   3.128040  -0.865944
  H   2.776242   3.576316   0.765752
  H   1.813003   1.559424   1.728928
  H   3.047159   1.163504   0.520923
  H  -3.352017  -4.443542   0.608993
  H  -3.019634  -6.017479   1.370175
  H  -2.202828  -4.557570   1.968178
  H  -2.891651  -5.840513  -1.508792
  H  -1.230384  -6.401771  -1.854728
  H  -2.233251  -7.254634  -0.644415
  H   1.312071  -0.204334   2.707806
  H  -0.384775   0.076637   2.264033
  H   0.198167  -1.563671   2.545442
  H   0.949705  -0.158611  -2.172384
  H   1.641053   1.459098  -2.064732
  H   2.580924   0.071099  -1.515316
  H  -0.755474   4.162916  -2.257668
  H   0.748542   3.230751  -2.282422
  H  -0.812199   2.428134  -2.551972
  H  -2.639417   2.736461  -0.413290
  H  -1.937617   3.338192   1.104786
  H  -0.582540   6.760366   1.482963
  H  -1.036899   5.108052   1.968327
  H   1.097387   7.036598  -0.554612
  H   1.891627   5.580253  -1.199883
  H   0.159922   5.877012  -1.510966
  H   1.568956   6.722692   1.821853
  H   1.534899   5.096257   2.557946
  H   2.696432   5.479900   1.259656
 80
 Energy -1470.33276303    Point 37   Kin_en 1.041
  C  -1.428612  -5.351725   0.043364
  C  -0.942333  -4.026926  -0.599787
  C  -0.330239  -3.039299   0.413006
  C   1.010994  -3.766073   0.641302
  C   0.728136  -5.053005   1.463188
  C  -0.210008  -6.029970   0.727195
  C  -0.179493  -1.608289  -0.151718
  C   0.870512  -0.750781   0.626568
  C   2.213486  -1.528849   0.599969
  C   2.129254  -2.920030   1.244377
  C  -1.532978  -0.891490  -0.247192
  C  -1.404773   0.504154  -0.875087
  C  -0.396308   1.379611  -0.104404
  C   1.015024   0.678914  -0.101642
  C   2.007891   3.032455   0.199136
  C   2.019852   1.571267   0.660244
  C   0.619826   3.646865   0.436487
  C  -2.559441  -5.074630   1.051776
  C  -1.971047  -6.274457  -1.063425
  O   0.177693  -4.326196  -1.502228
  C   1.349980  -4.209544  -0.792767
  O   2.424117  -4.453668  -1.277381
  H  -0.928986  -3.011889   1.337498
  C   0.456440  -0.594583   2.111719
  H   0.208899  -1.723255  -1.180424
  C   1.576934   0.494681  -1.532963
  H  -0.729055   1.371518   0.950642
  C  -0.282618   3.188652  -1.984016
  H   0.345195   3.337436   1.468966
  C  -1.872287   3.411418  -0.028636
  C  -2.286559   4.810981  -0.450961
  O  -1.823239   5.870305   0.277408
  C  -0.715801   5.698437   1.178471
  C   0.606342   5.219609   0.530139
  C  -0.449444   2.931729  -0.466774
  C   0.839346   5.968903  -0.795988
  C   1.708641   5.672831   1.519448
  O  -3.032284   5.036932  -1.374829
  H  -1.733645  -3.587596  -1.228932
  H   0.297199  -4.738881   2.431045
  H   1.682329  -5.561898   1.683897
  H  -0.566401  -6.811044   1.420903
  H   0.372952  -6.551316  -0.051691
  H   2.997264  -0.946672   1.113507
  H   2.544432  -1.663817  -0.442374
  H   1.982691  -2.844686   2.335305
  H   3.082402  -3.452445   1.079867
  H  -2.238937  -1.492433  -0.847261
  H  -1.979177  -0.805134   0.761442
  H  -2.402725   0.969756  -0.893401
  H  -1.098287   0.396533  -1.929403
  H   2.309032   3.119055  -0.858707
  H   2.770867   3.572220   0.778490
  H   1.787218   1.567197   1.739143
  H   3.037627   1.158953   0.551695
  H  -3.355202  -4.459526   0.597294
  H  -3.015032  -6.027582   1.367325
  H  -2.207837  -4.558992   1.958462
  H  -2.884123  -5.851616  -1.516351
  H  -1.221022  -6.410695  -1.857196
  H  -2.225909  -7.263953  -0.648923
  H   1.292985  -0.209708   2.715538
  H  -0.399974   0.077155   2.260500
  H   0.175502  -1.565345   2.545365
  H   0.973285  -0.173109  -2.162398
  H   1.640907   1.455024  -2.058620
  H   2.596315   0.082720  -1.495077
  H  -0.791455   4.109021  -2.301638
  H   0.771399   3.276133  -2.281153
  H  -0.727778   2.370910  -2.569421
  H  -2.634713   2.768838  -0.486815
  H  -1.957800   3.307269   1.068211
  H  -0.572382   6.710139   1.587521
  H  -0.990666   5.032722   2.018967
  H   0.954880   7.047866  -0.597553
  H   1.763010   5.617104  -1.282129
  H   0.010672   5.857048  -1.505288
  H   1.597264   6.748200   1.734665
  H   1.655346   5.124838   2.475892
  H   2.714090   5.531141   1.098197
 80
 Energy -1470.33073665    Point 36   Kin_en 1.007
  C  -1.425820  -5.358024   0.041749
  C  -0.939230  -4.033566  -0.602145
  C  -0.331585  -3.044325   0.411323
  C   1.010071  -3.769265   0.644077
  C   0.727741  -5.057084   1.464738
  C  -0.207768  -6.035223   0.727284
  C  -0.180923  -1.612885  -0.153170
  C   0.863600  -0.754521   0.631317
  C   2.207788  -1.530693   0.608402
  C   2.123758  -2.921485   1.252661
  C  -1.534521  -0.897236  -0.255793
  C  -1.403667   0.496640  -0.887978
  C  -0.400756   1.375644  -0.114145
  C   1.011095   0.676375  -0.092932
  C   2.002264   3.028776   0.216154
  C   1.999944   1.570689   0.686135
  C   0.611603   3.646041   0.424513
  C  -2.557484  -5.080365   1.049124
  C  -1.967011  -6.281857  -1.064624
  O   0.183440  -4.332088  -1.501172
  C   1.354070  -4.211471  -0.789258
  O   2.429819  -4.452395  -1.271852
  H  -0.933173  -3.017370   1.333908
  C   0.441622  -0.600303   2.114515
  H   0.212971  -1.726725  -1.180026
  C   1.594702   0.496193  -1.515756
  H  -0.743220   1.374204   0.937984
  C  -0.261140   3.171832  -2.005780
  H   0.324907   3.342210   1.455135
  C  -1.871519   3.415535  -0.068097
  C  -2.258546   4.840331  -0.433515
  O  -1.858017   5.852367   0.394610
  C  -0.703960   5.676366   1.233820
  C   0.588052   5.220591   0.508151
  C  -0.446370   2.926188  -0.487531
  C   0.736578   5.966820  -0.833080
  C   1.740425   5.700076   1.424279
  O  -2.947491   5.122860  -1.385637
  H  -1.729613  -3.596103  -1.233788
  H   0.295234  -4.744028   2.432212
  H   1.682524  -5.564442   1.686498
  H  -0.564393  -6.816730   1.420390
  H   0.376947  -6.555809  -0.050785
  H   2.989692  -0.947362   1.123408
  H   2.541215  -1.665700  -0.433065
  H   1.970966  -2.846004   2.342768
  H   3.078873  -3.451963   1.093346
  H  -2.238134  -1.500201  -0.856588
  H  -1.984264  -0.807399   0.750954
  H  -2.401422   0.962716  -0.913368
  H  -1.090285   0.384338  -1.939930
  H   2.326949   3.109739  -0.835333
  H   2.753471   3.568228   0.810458
  H   1.741427   1.573170   1.759154
  H   3.018768   1.154985   0.604164
  H  -3.352361  -4.464460   0.594144
  H  -3.014046  -6.033081   1.363949
  H  -2.206355  -4.565381   1.956340
  H  -2.880042  -5.859864  -1.518399
  H  -1.216393  -6.418296  -1.857823
  H  -2.221609  -7.271202  -0.649582
  H   1.279777  -0.231160   2.725896
  H  -0.405148   0.084423   2.260103
  H   0.142538  -1.568550   2.541650
  H   1.006697  -0.179917  -2.151410
  H   1.655173   1.455905  -2.042692
  H   2.617913   0.095562  -1.463027
  H  -0.803002   4.065938  -2.343125
  H   0.794047   3.299762  -2.284319
  H  -0.659362   2.328814  -2.588847
  H  -2.630962   2.804255  -0.573036
  H  -1.986446   3.269973   1.021551
  H  -0.550934   6.681520   1.655607
  H  -0.927275   4.989927   2.073559
  H   0.851430   7.047524  -0.644637
  H   1.636751   5.622612  -1.366456
  H  -0.125138   5.845514  -1.499836
  H   1.626435   6.777017   1.629871
  H   1.752449   5.166663   2.390323
  H   2.720211   5.564811   0.944247
 80
 Energy -1470.32742780    Point 35   Kin_en 1.044
  C  -1.423655  -5.361227   0.041720
  C  -0.936801  -4.037402  -0.602745
  C  -0.330796  -3.047941   0.410798
  C   1.011223  -3.771341   0.645269
  C   0.729298  -5.059396   1.465480
  C  -0.205730  -6.037919   0.727927
  C  -0.181117  -1.616801  -0.153734
  C   0.858970  -0.757197   0.634362
  C   2.204685  -1.530890   0.613191
  C   2.122070  -2.921851   1.256725
  C  -1.535500  -0.904193  -0.259614
  C  -1.405229   0.486725  -0.897622
  C  -0.405424   1.370285  -0.125172
  C   1.006568   0.674734  -0.086456
  C   1.982401   3.030554   0.242258
  C   1.974494   1.573402   0.711682
  C   0.588426   3.650299   0.416366
  C  -2.555607  -5.082617   1.048626
  C  -1.964742  -6.285411  -1.064295
  O   0.186905  -4.335386  -1.500585
  C   1.357051  -4.212520  -0.788007
  O   2.433439  -4.450598  -1.270588
  H  -0.933406  -3.021219   1.332651
  C   0.432218  -0.605040   2.116565
  H   0.215909  -1.729084  -1.179710
  C   1.610784   0.499780  -1.500737
  H  -0.755141   1.377048   0.924753
  C  -0.237455   3.157451  -2.027261
  H   0.280161   3.359061   1.444148
  C  -1.883049   3.400977  -0.126947
  C  -2.238143   4.850787  -0.412320
  O  -1.909110   5.793439   0.524169
  C  -0.677070   5.700465   1.260744
  C   0.574709   5.228604   0.479417
  C  -0.448491   2.918390  -0.511015
  C   0.692306   5.957093  -0.875985
  C   1.758389   5.717764   1.351787
  O  -2.867005   5.208206  -1.380764
  H  -1.726779  -3.600489  -1.235271
  H   0.296467  -4.746587   2.432900
  H   1.684239  -5.566358   1.687464
  H  -0.562418  -6.819278   1.421163
  H   0.379305  -6.558587  -0.049839
  H   2.984940  -0.946164   1.129214
  H   2.539580  -1.665635  -0.427737
  H   1.966108  -2.846967   2.346463
  H   3.078693  -3.450308   1.099688
  H  -2.238103  -1.510386  -0.858319
  H  -1.985825  -0.810835   0.746560
  H  -2.403366   0.951532  -0.925591
  H  -1.089893   0.370353  -1.948768
  H   2.332430   3.112816  -0.801201
  H   2.718917   3.569128   0.854657
  H   1.692069   1.575314   1.778566
  H   2.997014   1.162656   0.652911
  H  -3.349766  -4.466120   0.593190
  H  -3.013084  -6.034935   1.363343
  H  -2.204545  -4.567865   1.955988
  H  -2.877369  -5.863214  -1.518735
  H  -1.213822  -6.422466  -1.857121
  H  -2.219904  -7.274490  -0.648981
  H   1.272179  -0.249659   2.733522
  H  -0.405986   0.090655   2.260699
  H   0.118275  -1.571023   2.538126
  H   1.031641  -0.175705  -2.145498
  H   1.677722   1.460617  -2.024452
  H   2.633639   0.100266  -1.435301
  H  -0.785727   4.043018  -2.376985
  H   0.820593   3.297682  -2.288314
  H  -0.614072   2.305251  -2.611544
  H  -2.624634   2.830918  -0.702635
  H  -2.047846   3.196908   0.946825
  H  -0.519078   6.735551   1.602360
  H  -0.806369   5.066048   2.159966
  H   0.846578   7.035490  -0.703307
  H   1.561717   5.581694  -1.438444
  H  -0.196167   5.855557  -1.510758
  H   1.649273   6.796387   1.550864
  H   1.804915   5.194198   2.321948
  H   2.720388   5.579691   0.837966
 80
 Energy -1470.32213308    Point 34   Kin_en 1.050
  C  -1.422503  -5.362065   0.042044
  C  -0.935403  -4.038656  -0.602772
  C  -0.329726  -3.049431   0.410778
  C   1.012488  -3.771657   0.645494
  C   0.730808  -5.059736   1.465730
  C  -0.204431  -6.038367   0.728423
  C  -0.181197  -1.618607  -0.153484
  C   0.856506  -0.757685   0.635902
  C   2.203227  -1.529513   0.614734
  C   2.122038  -2.920810   1.257775
  C  -1.536334  -0.908957  -0.258948
  C  -1.408188   0.479215  -0.901469
  C  -0.409359   1.366226  -0.131920
  C   1.002575   0.675054  -0.083002
  C   1.956679   3.037641   0.264970
  C   1.954684   1.579007   0.727122
  C   0.559067   3.658844   0.415763
  C  -2.554633  -5.082865   1.048647
  C  -1.963672  -6.286416  -1.063758
  O   0.188481  -4.336563  -1.500321
  C   1.358640  -4.212688  -0.787781
  O   2.435089  -4.450102  -1.270514
  H  -0.932490  -3.023030   1.332513
  C   0.427801  -0.607010   2.117740
  H   0.217056  -1.729293  -1.179247
  C   1.618357   0.503825  -1.492329
  H  -0.762816   1.379889   0.916766
  C  -0.219499   3.148337  -2.040666
  H   0.230606   3.383789   1.441936
  C  -1.905378   3.373664  -0.192954
  C  -2.224923   4.842180  -0.393184
  O  -1.958971   5.687724   0.652405
  C  -0.649105   5.764935   1.246562
  C   0.568162   5.240272   0.451278
  C  -0.455302   2.911203  -0.528039
  C   0.701277   5.942475  -0.917455
  C   1.761750   5.730462   1.314276
  O  -2.794375   5.282604  -1.363648
  H  -1.725338  -3.601968  -1.235502
  H   0.298072  -4.746748   2.433129
  H   1.685725  -5.566758   1.687658
  H  -0.560849  -6.819669   1.421866
  H   0.380529  -6.559092  -0.049354
  H   2.982857  -0.943669   1.130580
  H   2.538065  -1.664088  -0.426183
  H   1.965057  -2.846403   2.347423
  H   3.079466  -3.447986   1.101329
  H  -2.239912  -1.517890  -0.853678
  H  -1.984254  -0.811862   0.747936
  H  -2.406860   0.942072  -0.928228
  H  -1.093605   0.360486  -1.952762
  H   2.320738   3.126242  -0.773281
  H   2.682781   3.576594   0.888791
  H   1.661229   1.573791   1.790916
  H   2.981716   1.178097   0.677556
  H  -3.348509  -4.466286   0.592826
  H  -3.012444  -6.034977   1.363498
  H  -2.203720  -4.567982   1.955984
  H  -2.876268  -5.864149  -1.518210
  H  -1.212805  -6.423644  -1.856608
  H  -2.218967  -7.275420  -0.648350
  H   1.268812  -0.259048   2.737466
  H  -0.405799   0.094344   2.261799
  H   0.106393  -1.571890   2.536189
  H   1.042577  -0.168735  -2.143416
  H   1.691029   1.466035  -2.012369
  H   2.639959   0.102462  -1.420418
  H  -0.763551   4.034374  -2.396171
  H   0.841317   3.288527  -2.289489
  H  -0.589757   2.295374  -2.628178
  H  -2.613006   2.846811  -0.847573
  H  -2.132463   3.108853   0.855111
  H  -0.509660   6.845442   1.417738
  H  -0.663857   5.267117   2.235816
  H   0.894899   7.016899  -0.760239
  H   1.553189   5.530342  -1.480878
  H  -0.195615   5.862934  -1.543948
  H   1.649175   6.807132   1.522641
  H   1.821506   5.201164   2.280078
  H   2.717759   5.602383   0.787032
 80
 Energy -1470.31719688    Point 33   Kin_en 1.051
  C  -1.421799  -5.362196   0.042399
  C  -0.934555  -4.039101  -0.602801
  C  -0.328881  -3.049897   0.410553
  C   1.013392  -3.771274   0.645415
  C   0.732064  -5.059387   1.465720
  C  -0.203635  -6.038141   0.728958
  C  -0.181047  -1.619262  -0.153676
  C   0.854574  -0.756842   0.636688
  C   2.202109  -1.527378   0.615412
  C   2.122045  -2.919176   1.257978
  C  -1.537113  -0.912729  -0.258935
  C  -1.412157   0.474857  -0.901814
  C  -0.414124   1.364643  -0.134550
  C   0.998541   0.677177  -0.080741
  C   1.932744   3.046203   0.281429
  C   1.939936   1.585703   0.736355
  C   0.531848   3.669459   0.418788
  C  -2.553966  -5.082636   1.048878
  C  -1.963064  -6.286757  -1.063188
  O   0.189330  -4.337116  -1.500226
  C   1.359589  -4.212501  -0.787829
  O   2.435995  -4.449718  -1.270703
  H  -0.931696  -3.023412   1.332228
  C   0.424728  -0.607680   2.118333
  H   0.217290  -1.729157  -1.179592
  C   1.620727   0.508253  -1.487303
  H  -0.769059   1.382801   0.913623
  C  -0.210185   3.143632  -2.047378
  H   0.189469   3.408237   1.444047
  C  -1.934961   3.346576  -0.250574
  C  -2.216770   4.826658  -0.376135
  O  -1.980230   5.553687   0.766797
  C  -0.637776   5.839697   1.201284
  C   0.565577   5.252612   0.429044
  C  -0.466205   2.907551  -0.538050
  C   0.726810   5.927038  -0.951497
  C   1.757622   5.744958   1.295185
  O  -2.722354   5.350520  -1.338910
  H  -1.724476  -3.602455  -1.235565
  H   0.300154  -4.746386   2.433518
  H   1.687046  -5.566519   1.687116
  H  -0.559700  -6.819273   1.422805
  H   0.381158  -6.559176  -0.048746
  H   2.981486  -0.940925   1.131082
  H   2.536745  -1.661580  -0.425589
  H   1.964539  -2.845130   2.347591
  H   3.080126  -3.445247   1.101811
  H  -2.240404  -1.523171  -0.852430
  H  -1.983839  -0.813814   0.748275
  H  -2.411816   0.934867  -0.925087
  H  -1.099601   0.357140  -1.953933
  H   2.303629   3.141025  -0.753855
  H   2.652195   3.586755   0.911346
  H   1.642313   1.572894   1.798813
  H   2.970918   1.194334   0.689349
  H  -3.347791  -4.466137   0.592854
  H  -3.011839  -6.034643   1.363960
  H  -2.203079  -4.567533   1.956094
  H  -2.875656  -5.864454  -1.517609
  H  -1.212238  -6.424076  -1.856074
  H  -2.218435  -7.275696  -0.647680
  H   1.265812  -0.262580   2.739505
  H  -0.407406   0.095483   2.262404
  H   0.100759  -1.572446   2.535063
  H   1.045318  -0.160691  -2.142633
  H   1.699405   1.471462  -2.004389
  H   2.640590   0.103286  -1.411853
  H  -0.749993   4.030482  -2.407623
  H   0.852712   3.283069  -2.286553
  H  -0.576138   2.290384  -2.637402
  H  -2.603293   2.855045  -0.970846
  H  -2.215066   3.033368   0.769738
  H  -0.543504   6.940585   1.175021
  H  -0.565492   5.519772   2.257066
  H   0.945818   6.998393  -0.806930
  H   1.572200   5.487912  -1.504169
  H  -0.168755   5.860918  -1.581365
  H   1.634418   6.819356   1.512173
  H   1.818663   5.209585   2.257126
  H   2.715207   5.631073   0.767310
 80
 Energy -1470.31534614    Point 32   Kin_en 1.052
  C  -1.421108  -5.362091   0.042669
  C  -0.933876  -4.039214  -0.602852
  C  -0.328253  -3.049854   0.410282
  C   1.014149  -3.770430   0.645271
  C   0.733214  -5.058611   1.465722
  C  -0.202838  -6.037643   0.729494
  C  -0.181140  -1.619315  -0.153929
  C   0.852273  -0.755152   0.637433
  C   2.200756  -1.524454   0.615826
  C   2.121881  -2.916902   1.257971
  C  -1.538106  -0.915909  -0.259804
  C  -1.416666   0.471638  -0.901557
  C  -0.420539   1.364684  -0.135931
  C   0.993602   0.680716  -0.078675
  C   1.908845   3.056095   0.294519
  C   1.925196   1.593922   0.744021
  C   0.505391   3.682887   0.421202
  C  -2.553346  -5.082392   1.049062
  C  -1.962407  -6.286925  -1.062696
  O   0.190004  -4.337346  -1.500140
  C   1.360336  -4.212031  -0.787860
  O   2.436689  -4.449300  -1.270796
  H  -0.931079  -3.023359   1.331942
  C   0.421745  -0.607643   2.118942
  H   0.218707  -1.728272  -1.179416
  C   1.621449   0.513661  -1.482806
  H  -0.776191   1.386015   0.911938
  C  -0.208046   3.141684  -2.051771
  H   0.151819   3.433950   1.445190
  C  -1.971843   3.319942  -0.299994
  C  -2.213735   4.805583  -0.355981
  O  -1.963392   5.405803   0.862147
  C  -0.646289   5.909122   1.138547
  C   0.564696   5.269121   0.410805
  C  -0.481500   2.906672  -0.545550
  C   0.757393   5.914641  -0.980057
  C   1.750441   5.761613   1.284049
  O  -2.645229   5.415039  -1.303083
  H  -1.723817  -3.602762  -1.235705
  H   0.301802  -4.745616   2.433735
  H   1.688314  -5.565762   1.686657
  H  -0.559078  -6.818168   1.423908
  H   0.381768  -6.559258  -0.047940
  H   2.979710  -0.937235   1.131435
  H   2.535424  -1.658560  -0.425147
  H   1.963934  -2.843229   2.347544
  H   3.080634  -3.441788   1.101937
  H  -2.239031  -1.527495  -0.854998
  H  -1.987064  -0.821527   0.746970
  H  -2.417552   0.928246  -0.922421
  H  -1.105714   0.355241  -1.954391
  H   2.286103   3.155779  -0.737974
  H   2.622539   3.598112   0.929651
  H   1.624214   1.574707   1.805316
  H   2.959834   1.211605   0.699153
  H  -3.347202  -4.466041   0.592886
  H  -3.011170  -6.034377   1.364303
  H  -2.202525  -4.567084   1.956191
  H  -2.875009  -5.864665  -1.517140
  H  -1.211623  -6.424386  -1.855596
  H  -2.217791  -7.275780  -0.646982
  H   1.262663  -0.263628   2.740898
  H  -0.410012   0.095980   2.263130
  H   0.097029  -1.572633   2.534584
  H   1.047490  -0.153446  -2.141409
  H   1.703848   1.477572  -1.997858
  H   2.640401   0.107129  -1.403886
  H  -0.742623   4.030276  -2.415847
  H   0.856869   3.279581  -2.281498
  H  -0.570812   2.288789  -2.644527
  H  -2.601059   2.859747  -1.074115
  H  -2.292536   2.963750   0.692814
  H  -0.628374   6.995531   0.925839
  H  -0.521536   5.773909   2.226291
  H   0.993146   6.984137  -0.848524
  H   1.601795   5.454387  -1.516836
  H  -0.133084   5.854575  -1.617376
  H   1.622212   6.837194   1.495812
  H   1.798250   5.230854   2.249351
  H   2.714954   5.648781   0.768094
 80
 Energy -1470.31649973    Point 31   Kin_en 1.011
  C  -1.419898  -5.361974   0.043035
  C  -0.933044  -4.039147  -0.602770
  C  -0.327783  -3.049490   0.410186
  C   1.015084  -3.768802   0.645082
  C   0.734722  -5.057091   1.465821
  C  -0.201140  -6.036735   0.729840
  C  -0.182234  -1.618872  -0.153873
  C   0.848626  -0.752447   0.638375
  C   2.198368  -1.520014   0.616099
  C   2.121571  -2.913265   1.257730
  C  -1.540331  -0.918821  -0.260580
  C  -1.421151   0.467258  -0.904623
  C  -0.429622   1.364976  -0.138541
  C   0.986522   0.685648  -0.075944
  C   1.882199   3.067406   0.305918
  C   1.905835   1.604555   0.753436
  C   0.477559   3.698885   0.419368
  C  -2.552250  -5.082440   1.049337
  C  -1.961142  -6.287164  -1.062099
  O   0.190850  -4.337073  -1.499898
  C   1.361314  -4.210980  -0.787873
  O   2.437567  -4.448696  -1.270792
  H  -0.930504  -3.023385   1.331912
  C   0.417507  -0.607033   2.119833
  H   0.218055  -1.726920  -1.179379
  C   1.622201   0.521207  -1.476751
  H  -0.787545   1.388353   0.908578
  C  -0.213022   3.141052  -2.057189
  H   0.112653   3.463935   1.441560
  C  -2.013209   3.292235  -0.343091
  C  -2.211248   4.778857  -0.327801
  O  -1.914023   5.260198   0.934359
  C  -0.669590   5.961745   1.069065
  C   0.563848   5.290813   0.391907
  C  -0.501537   2.905804  -0.554440
  C   0.792931   5.907517  -1.006432
  C   1.740612   5.778718   1.277539
  O  -2.559288   5.474256  -1.250051
  H  -1.723132  -3.603070  -1.235683
  H   0.303117  -4.744032   2.433732
  H   1.689927  -5.563939   1.686940
  H  -0.556542  -6.817475   1.424476
  H   0.383599  -6.558139  -0.047661
  H   2.976813  -0.931856   1.131556
  H   2.532774  -1.653423  -0.425037
  H   1.963471  -2.840145   2.347326
  H   3.081265  -3.436411   1.101583
  H  -2.240276  -1.532645  -0.854615
  H  -1.989269  -0.823039   0.746051
  H  -2.423161   0.920492  -0.928885
  H  -1.106179   0.350083  -1.956290
  H   2.268790   3.169767  -0.722870
  H   2.589028   3.610920   0.947315
  H   1.598121   1.581226   1.812606
  H   2.944075   1.230911   0.714773
  H  -3.346203  -4.466253   0.593084
  H  -3.009907  -6.034514   1.364522
  H  -2.201650  -4.567028   1.956482
  H  -2.874204  -5.865380  -1.516039
  H  -1.210658  -6.424223  -1.855357
  H  -2.215833  -7.276165  -0.646297
  H   1.258704  -0.265466   2.742771
  H  -0.412855   0.098270   2.264511
  H   0.090684  -1.571998   2.533911
  H   1.053975  -0.148584  -2.137758
  H   1.703590   1.485137  -1.991796
  H   2.642278   0.118599  -1.392461
  H  -0.741082   4.033197  -2.422480
  H   0.854133   3.276219  -2.277105
  H  -0.573853   2.290212  -2.654261
  H  -2.610223   2.868195  -1.161689
  H  -2.364420   2.891229   0.621305
  H  -0.761714   6.998598   0.692498
  H  -0.515547   6.003322   2.158836
  H   1.039183   6.976416  -0.888992
  H   1.642194   5.429399  -1.519547
  H  -0.088225   5.846491  -1.656017
  H   1.620014   6.859037   1.470367
  H   1.761219   5.263144   2.252352
  H   2.714975   5.648684   0.784151
 80
 Energy -1470.31762002    Point 30   Kin_en 7.144
  C  -1.412715  -5.366701   0.041764
  C  -0.929090  -4.043329  -0.605387
  C  -0.331666  -3.049066   0.407591
  C   1.013492  -3.762267   0.648659
  C   0.736057  -5.050404   1.470525
  C  -0.193334  -6.035291   0.733479
  C  -0.188982  -1.619027  -0.158389
  C   0.833603  -0.747710   0.639211
  C   2.187031  -1.508469   0.622370
  C   2.114390  -2.901588   1.264142
  C  -1.548505  -0.923650  -0.277026
  C  -1.427126   0.460764  -0.924488
  C  -0.446098   1.363354  -0.150027
  C   0.970679   0.690255  -0.073588
  C   1.855871   3.072415   0.303857
  C   1.873539   1.614948   0.765586
  C   0.454966   3.712274   0.403628
  C  -2.549069  -5.089646   1.044271
  C  -1.946956  -6.296142  -1.063160
  O   0.199130  -4.338755  -1.497996
  C   1.366642  -4.205258  -0.782348
  O   2.445567  -4.438541  -1.261429
  H  -0.937793  -3.023730   1.327055
  C   0.393942  -0.603791   2.118258
  H   0.219115  -1.727549  -1.180783
  C   1.621430   0.529493  -1.467813
  H  -0.812727   1.386246   0.894075
  C  -0.239893   3.143252  -2.069827
  H   0.082827   3.492754   1.425234
  C  -2.051095   3.269594  -0.363604
  C  -2.200000   4.753762  -0.279222
  O  -1.843909   5.147879   0.995292
  C  -0.682632   5.992290   1.007375
  C   0.570287   5.309787   0.365095
  C  -0.526714   2.903306  -0.568555
  C   0.837808   5.905449  -1.035366
  C   1.738818   5.785765   1.267088
  O  -2.474557   5.520198  -1.170802
  H  -1.718802  -3.611987  -1.242012
  H   0.300175  -4.737562   2.436589
  H   1.692774  -5.552707   1.695459
  H  -0.547959  -6.816015   1.428506
  H   0.395859  -6.555792  -0.041239
  H   2.960554  -0.916397   1.140739
  H   2.525824  -1.639725  -0.417651
  H   1.952682  -2.828638   2.353237
  H   3.076731  -3.420829   1.111224
  H  -2.242118  -1.541248  -0.874594
  H  -2.005330  -0.825836   0.725882
  H  -2.429907   0.911404  -0.962332
  H  -1.098812   0.340974  -1.971795
  H   2.250737   3.163446  -0.722867
  H   2.559947   3.619318   0.945026
  H   1.545916   1.600369   1.818929
  H   2.912763   1.242353   0.749073
  H  -3.343899  -4.477130   0.584622
  H  -3.004167  -6.042844   1.359806
  H  -2.203007  -4.571419   1.951548
  H  -2.859993  -5.878597  -1.521102
  H  -1.193334  -6.432122  -1.853614
  H  -2.199454  -7.285207  -0.646173
  H   1.230328  -0.258120   2.745331
  H  -0.440092   0.098309   2.257589
  H   0.068859  -1.569812   2.531218
  H   1.077901  -0.164591  -2.124586
  H   1.677183   1.489164  -1.993971
  H   2.652390   0.158060  -1.371833
  H  -0.763401   4.041905  -2.426358
  H   0.827751   3.274474  -2.290312
  H  -0.606897   2.298103  -2.671414
  H  -2.636764   2.888824  -1.210777
  H  -2.415797   2.826449   0.576664
  H  -0.890948   6.953334   0.503107
  H  -0.507630   6.184589   2.076296
  H   1.087708   6.974744  -0.928300
  H   1.697634   5.415440  -1.519352
  H  -0.029132   5.838031  -1.702961
  H   1.635362   6.871353   1.438621
  H   1.725506   5.287462   2.251237
  H   2.722492   5.629204   0.800413
 80
 Energy -1470.31761540    Point 29   Kin_en 0.789
  C  -1.410835  -5.370092   0.032383
  C  -0.927990  -4.044040  -0.609999
  C  -0.336511  -3.050069   0.406895
  C   1.008907  -3.761581   0.652364
  C   0.730370  -5.051135   1.471509
  C  -0.192990  -6.036968   0.728414
  C  -0.193792  -1.619313  -0.157634
  C   0.826622  -0.747622   0.642056
  C   2.180503  -1.507393   0.631122
  C   2.106262  -2.900239   1.272903
  C  -1.553309  -0.923746  -0.278515
  C  -1.431229   0.461956  -0.923971
  C  -0.449667   1.363794  -0.148919
  C   0.965953   0.688815  -0.072591
  C   1.857220   3.068475   0.298486
  C   1.871594   1.612521   0.764274
  C   0.458466   3.712023   0.400760
  C  -2.552496  -5.097988   1.030132
  C  -1.937301  -6.299007  -1.076727
  O   0.204363  -4.334872  -1.498824
  C   1.368641  -4.201891  -0.777910
  O   2.449889  -4.433213  -1.252705
  H  -0.946398  -3.026693   1.323979
  C   0.382108  -0.602152   2.119530
  H   0.215761  -1.727335  -1.179408
  C   1.615208   0.525738  -1.467397
  H  -0.816157   1.386958   0.895106
  C  -0.248338   3.143459  -2.069662
  H   0.088693   3.495484   1.423803
  C  -2.051905   3.272749  -0.355001
  C  -2.195671   4.757183  -0.268473
  O  -1.830502   5.149204   1.003930
  C  -0.670302   5.995553   1.006030
  C   0.578730   5.309486   0.359635
  C  -0.528712   2.903914  -0.567156
  C   0.842627   5.902672  -1.042583
  C   1.752200   5.783157   1.256361
  O  -2.471012   5.525442  -1.158297
  H  -1.716297  -3.613281  -1.248780
  H   0.288969  -4.740456   2.435759
  H   1.687110  -5.551540   1.700528
  H  -0.548618  -6.820216   1.420109
  H   0.401199  -6.554276  -0.044655
  H   2.523966  -1.638521  -0.407404
  H   2.951256  -0.914598   1.152686
  H   1.939573  -2.827300   2.361243
  H   3.069687  -3.418744   1.124419
  H  -2.245457  -1.540677  -0.878515
  H  -2.012501  -0.827563   0.723441
  H  -2.433886   0.913074  -0.961432
  H  -1.102930   0.343312  -1.971381
  H   2.249291   3.155379  -0.729672
  H   2.564724   3.615168   0.935969
  H   1.544722   1.601469   1.817953
  H   2.909745   1.237057   0.747795
  H  -3.005829  -6.053043   1.342577
  H  -2.212141  -4.579598   1.939480
  H  -3.347294  -4.487590   0.567625
  H  -1.179633  -6.431261  -1.863949
  H  -2.849469  -5.883363  -1.538119
  H  -2.188725  -7.289583  -0.662695
  H  -0.454845   0.097033   2.255472
  H   0.059294  -1.568686   2.533123
  H   1.215446  -0.252423   2.748383
  H   2.646566   0.155166  -1.372020
  H   1.669545   1.484573  -1.995324
  H   1.071527  -0.169736  -2.122463
  H   0.818748   3.271154  -2.295081
  H  -0.770626   4.043918  -2.423294
  H  -0.620972   2.299726  -2.669804
  H  -2.642350   2.894146  -1.199811
  H  -2.412931   2.829428   0.586562
  H  -0.883042   6.953530   0.498008
  H  -0.489646   6.193154   2.073008
  H   1.096090   6.971362  -0.937832
  H   1.699168   5.409505  -1.529192
  H  -0.027121   5.836953  -1.706685
  H   1.652789   6.869397   1.426149
  H   2.733663   5.622666   0.786371
  H   1.740916   5.286827   2.241533
 80
 Energy -1470.31749559    Point 28   Kin_en 1.047
  C  -1.403966  -5.377868   0.027090
  C  -0.931088  -4.045227  -0.609348
  C  -0.334126  -3.057080   0.410092
  C   1.015415  -3.766408   0.638849
  C   0.748007  -5.064373   1.448984
  C  -0.177165  -6.047008   0.704690
  C  -0.199339  -1.621534  -0.144515
  C   0.823314  -0.752767   0.655399
  C   2.179404  -1.508421   0.628913
  C   2.114293  -2.906854   1.258962
  C  -1.560649  -0.927953  -0.252097
  C  -1.444138   0.460245  -0.893063
  C  -0.461188   1.363072  -0.120523
  C   0.955449   0.689587  -0.048406
  C   1.846410   3.066389   0.327441
  C   1.853986   1.611936   0.796613
  C   0.450775   3.719357   0.415236
  C  -2.535588  -5.117279   1.039279
  C  -1.939730  -6.299029  -1.083970
  O   0.194567  -4.325677  -1.510005
  C   1.364619  -4.193166  -0.798130
  O   2.442514  -4.415821  -1.284534
  H  -0.936514  -3.042359   1.332267
  C   0.387107  -0.619275   2.136241
  H   0.204477  -1.720687  -1.169492
  C   1.606617   0.537349  -1.443528
  H  -0.824426   1.386748   0.924824
  C  -0.270477   3.136065  -2.048358
  H   0.075566   3.524109   1.440476
  C  -2.061098   3.274944  -0.320490
  C  -2.200112   4.761391  -0.284272
  O  -1.824636   5.197676   0.970236
  C  -0.665983   6.043891   0.929376
  C   0.593328   5.315737   0.346764
  C  -0.540431   2.903365  -0.543053
  C   0.915723   5.871508  -1.058202
  C   1.744013   5.786136   1.275359
  O  -2.474566   5.498644  -1.200418
  H  -1.726371  -3.612383  -1.237997
  H   0.312703  -4.764082   2.419149
  H   1.708930  -5.562468   1.665864
  H  -0.523500  -6.838106   1.392107
  H   0.411729  -6.554423  -0.078876
  H   2.515553  -1.629919  -0.413093
  H   2.952313  -0.917644   1.149597
  H   1.954953  -2.844098   2.349071
  H   3.078430  -3.420691   1.099220
  H  -2.256076  -1.542790  -0.850432
  H  -2.013151  -0.836936   0.753353
  H  -2.448159   0.908516  -0.925565
  H  -1.119418   0.344647  -1.941954
  H   2.246631   3.147980  -0.697994
  H   2.551013   3.612391   0.968607
  H   1.515984   1.601925   1.846798
  H   2.892015   1.235707   0.791062
  H  -2.983631  -6.076110   1.347769
  H  -2.186734  -4.606472   1.949683
  H  -3.336498  -4.504398   0.590812
  H  -1.190050  -6.422924  -1.880151
  H  -2.857750  -5.882028  -1.532335
  H  -2.184259  -7.293609  -0.675437
  H  -0.450537   0.077460   2.281144
  H   0.068517  -1.589348   2.544846
  H   1.223208  -0.272067   2.762841
  H   2.643028   0.181027  -1.348558
  H   1.647403   1.496289  -1.971861
  H   1.072258  -0.165802  -2.098208
  H   0.794834   3.264747  -2.280969
  H  -0.796978   4.033986  -2.402594
  H  -0.645590   2.289357  -2.642559
  H  -2.662665   2.869815  -1.144663
  H  -2.407539   2.861796   0.640058
  H  -0.875106   6.962706   0.352532
  H  -0.499814   6.317621   1.981487
  H   1.184698   6.937901  -0.970154
  H   1.778400   5.352819  -1.505776
  H   0.066239   5.804014  -1.748630
  H   1.659418   6.877079   1.420463
  H   2.738968   5.599226   0.845446
  H   1.687432   5.309371   2.268692
 80
 Energy -1470.31680696    Point 27   Kin_en 1.056
  C  -1.402667  -5.378166   0.029680
  C  -0.931008  -4.046879  -0.610448
  C  -0.331254  -3.057702   0.406160
  C   1.019219  -3.766497   0.631764
  C   0.754559  -5.062642   1.445042
  C  -0.174688  -6.046180   0.706401
  C  -0.197633  -1.622567  -0.149094
  C   0.824306  -0.753847   0.651600
  C   2.181813  -1.506623   0.618999
  C   2.120841  -2.906424   1.246653
  C  -1.558858  -0.929318  -0.259224
  C  -1.440003   0.459586  -0.898243
  C  -0.464269   1.362244  -0.115777
  C   0.953168   0.691101  -0.046449
  C   1.841709   3.063869   0.328326
  C   1.848045   1.612126   0.802600
  C   0.449566   3.725148   0.421323
  C  -2.532401  -5.115251   1.043400
  C  -1.940706  -6.301633  -1.078384
  O   0.192009  -4.328779  -1.513851
  C   1.364032  -4.196233  -0.805377
  O   2.440455  -4.421082  -1.294005
  H  -0.931128  -3.042581   1.329867
  C   0.390828  -0.626246   2.133719
  H   0.206367  -1.722134  -1.174006
  C   1.604081   0.545533  -1.442741
  H  -0.828645   1.374484   0.929249
  C  -0.308824   3.153360  -2.031213
  H   0.078612   3.542101   1.449956
  C  -2.069947   3.267087  -0.266143
  C  -2.229133   4.750517  -0.272276
  O  -1.804984   5.237565   0.948062
  C  -0.664547   6.096407   0.812981
  C   0.619264   5.320951   0.343586
  C  -0.552436   2.907823  -0.524506
  C   1.052248   5.844703  -1.042937
  C   1.713216   5.770274   1.349951
  O  -2.553201   5.452121  -1.199963
  H  -1.727958  -3.614877  -1.237549
  H   0.324076  -4.760095   2.416760
  H   1.715595  -5.561569   1.658812
  H  -0.519676  -6.835157   1.396976
  H   0.411630  -6.556465  -0.077267
  H   2.514809  -1.623994  -0.424597
  H   2.955217  -0.915932   1.139047
  H   1.967479  -2.845148   2.337695
  H   3.084332  -3.419597   1.080996
  H  -2.252275  -1.543510  -0.860527
  H  -2.014561  -0.839140   0.744888
  H  -2.444909   0.904530  -0.940377
  H  -1.104773   0.345440  -1.943915
  H   2.233722   3.136231  -0.700619
  H   2.553824   3.610417   0.960333
  H   1.505539   1.603722   1.851312
  H   2.886086   1.235925   0.801662
  H  -2.980097  -6.073377   1.354567
  H  -2.181787  -4.602811   1.952220
  H  -3.333988  -4.503069   0.595186
  H  -1.192729  -6.427038  -1.875928
  H  -2.859738  -5.885635  -1.525604
  H  -2.184240  -7.295413  -0.667325
  H  -0.450160   0.065776   2.282103
  H   0.078279  -1.598768   2.540987
  H   1.226523  -0.276017   2.759102
  H   2.650818   0.220016  -1.348300
  H   1.613811   1.500061  -1.980776
  H   1.088264  -0.179175  -2.088577
  H   0.754174   3.267300  -2.281810
  H  -0.827673   4.063958  -2.365009
  H  -0.709338   2.320567  -2.628589
  H  -2.692254   2.831958  -1.058624
  H  -2.379760   2.876728   0.716275
  H  -0.891126   6.922664   0.116087
  H  -0.518004   6.515222   1.818647
  H   1.324607   6.910673  -0.959503
  H   1.939086   5.309340  -1.417693
  H   0.253519   5.767266  -1.791934
  H   1.652834   6.864573   1.477750
  H   2.732547   5.549787   1.001369
  H   1.566331   5.306722   2.340426
 80
 Energy -1470.31602452    Point 26   Kin_en 1.056
  C  -1.402287  -5.377773   0.031131
  C  -0.931348  -4.047071  -0.610661
  C  -0.330509  -3.056871   0.404456
  C   1.020243  -3.765573   0.629393
  C   0.756108  -5.060587   1.444714
  C  -0.173954  -6.044920   0.708064
  C  -0.196179  -1.622725  -0.152668
  C   0.825768  -0.753387   0.647515
  C   2.183589  -1.505380   0.613026
  C   2.123572  -2.905216   1.241022
  C  -1.556601  -0.928681  -0.267723
  C  -1.433554   0.459450  -0.907894
  C  -0.463761   1.361744  -0.117190
  C   0.953932   0.691509  -0.050143
  C   1.842859   3.060126   0.312444
  C   1.849799   1.612658   0.797245
  C   0.454325   3.728178   0.419195
  C  -2.531649  -5.113878   1.045007
  C  -1.940736  -6.302471  -1.075710
  O   0.191023  -4.329896  -1.514959
  C   1.363479  -4.197191  -0.807448
  O   2.439534  -4.423091  -1.296424
  H  -0.929693  -3.040466   1.328620
  C   0.393941  -0.626432   2.130104
  H   0.209185  -1.724676  -1.176781
  C   1.601733   0.546336  -1.448354
  H  -0.828839   1.363478   0.927424
  C  -0.344085   3.172431  -2.019218
  H   0.092347   3.550903   1.451614
  C  -2.073357   3.259512  -0.213860
  C  -2.259043   4.738120  -0.252609
  O  -1.783225   5.273412   0.929233
  C  -0.659526   6.131948   0.693523
  C   0.643746   5.323845   0.341244
  C  -0.560427   2.912227  -0.511963
  C   1.185143   5.827428  -1.013690
  C   1.668995   5.754083   1.426374
  O  -2.640686   5.405641  -1.183326
  H  -1.728838  -3.615763  -1.237499
  H   0.326588  -4.756688   2.416435
  H   1.717212  -5.559474   1.658246
  H  -0.518680  -6.832818   1.400001
  H   0.411802  -6.556498  -0.075189
  H   2.515477  -1.621470  -0.431168
  H   2.957216  -0.914619   1.132656
  H   1.973168  -2.843306   2.332421
  H   3.086378  -3.418915   1.073144
  H  -2.248287  -1.542971  -0.870888
  H  -2.015887  -0.836639   0.734614
  H  -2.438608   0.902699  -0.960393
  H  -1.088341   0.344484  -1.950174
  H   2.217047   3.118752  -0.723571
  H   2.568420   3.610833   0.925223
  H   1.507761   1.609022   1.846144
  H   2.887336   1.235163   0.796755
  H  -2.978886  -6.071745   1.357598
  H  -2.180776  -4.600122   1.952982
  H  -3.333665  -4.502543   0.596386
  H  -1.193273  -6.428457  -1.873636
  H  -2.860222  -5.887196  -1.522639
  H  -2.183756  -7.295908  -0.663503
  H  -0.450214   0.061559   2.279338
  H   0.086674  -1.600042   2.538648
  H   1.228888  -0.271575   2.753863
  H   2.656968   0.248249  -1.355820
  H   1.583316   1.494071  -1.998520
  H   1.101358  -0.199103  -2.082530
  H   0.716616   3.261286  -2.289727
  H  -0.845376   4.101494  -2.329489
  H  -0.779282   2.359811  -2.620358
  H  -2.716186   2.797543  -0.973756
  H  -2.343877   2.887705   0.787279
  H  -0.903442   6.847995  -0.110551
  H  -0.528306   6.691498   1.630237
  H   1.434387   6.899267  -0.932267
  H   2.107305   5.299430  -1.303592
  H   0.452058   5.720367  -1.824498
  H   1.640660   6.851519   1.532439
  H   2.705282   5.491103   1.170325
  H   1.423518   5.313513   2.407727
 80
 Energy -1470.31567156    Point 25   Kin_en 1.057
  C  -1.402190  -5.377042   0.032077
  C  -0.931740  -4.046649  -0.610519
  C  -0.330157  -3.055807   0.403602
  C   1.020744  -3.764578   0.627937
  C   0.756968  -5.058862   1.444496
  C  -0.173612  -6.043750   0.709151
  C  -0.195035  -1.622513  -0.155288
  C   0.827475  -0.752726   0.643870
  C   2.185327  -1.504564   0.608383
  C   2.125572  -2.904231   1.237036
  C  -1.554657  -0.927277  -0.274862
  C  -1.427403   0.460058  -0.916463
  C  -0.462300   1.361478  -0.118883
  C   0.955740   0.691487  -0.054895
  C   1.847358   3.055775   0.290649
  C   1.855581   1.613087   0.787987
  C   0.462527   3.728745   0.414659
  C  -2.531464  -5.112869   1.045951
  C  -1.940615  -6.302292  -1.074347
  O   0.189656  -4.329921  -1.515584
  C   1.362655  -4.197276  -0.809009
  O   2.438307  -4.423746  -1.298594
  H  -0.928771  -3.038396   1.328127
  C   0.397449  -0.624802   2.126809
  H   0.211261  -1.727054  -1.178721
  C   1.598973   0.544191  -1.455499
  H  -0.827240   1.353802   0.925515
  C  -0.377276   3.189565  -2.007741
  H   0.111868   3.553522   1.451032
  C  -2.072400   3.255238  -0.159996
  C  -2.285946   4.728338  -0.231262
  O  -1.762190   5.314219   0.907424
  C  -0.648680   6.153650   0.571842
  C   0.665376   5.323684   0.339065
  C  -0.566363   2.916379  -0.500247
  C   1.308980   5.812614  -0.975498
  C   1.609851   5.741466   1.499684
  O  -2.723860   5.359266  -1.162424
  H  -1.729815  -3.615700  -1.236844
  H   0.327831  -4.754133   2.416152
  H   1.718111  -5.557635   1.658103
  H  -0.518448  -6.830725   1.402043
  H   0.411703  -6.556301  -0.073785
  H   2.516592  -1.620082  -0.436148
  H   2.959131  -0.913783   1.127692
  H   1.977383  -2.841337   2.328653
  H   3.087682  -3.418788   1.067840
  H  -2.244922  -1.541686  -0.879510
  H  -2.017106  -0.833237   0.725849
  H  -2.432111   0.902833  -0.978250
  H  -1.073658   0.344097  -1.955709
  H   2.200369   3.099927  -0.753116
  H   2.587488   3.612254   0.880787
  H   1.516298   1.615892   1.837827
  H   2.892164   1.233161   0.785947
  H  -2.978057  -6.070678   1.359662
  H  -2.180701  -4.597934   1.953304
  H  -3.333910  -4.502497   0.596810
  H  -1.192973  -6.428853  -1.872020
  H  -2.859865  -5.887055  -1.521827
  H  -2.183926  -7.295449  -0.661664
  H  -0.450061   0.058973   2.276334
  H   0.095858  -1.599131   2.537827
  H   1.231662  -0.264375   2.748333
  H   2.660521   0.268004  -1.365889
  H   1.557667   1.484842  -2.016866
  H   1.110445  -0.218149  -2.078484
  H   0.680229   3.244145  -2.299634
  H  -0.851945   4.140090  -2.295112
  H  -0.853603   2.401361  -2.610470
  H  -2.736014   2.765568  -0.883561
  H  -2.301209   2.904673   0.859111
  H  -0.902952   6.750733  -0.320893
  H  -0.527159   6.840388   1.421520
  H   1.516205   6.894095  -0.902850
  H   2.269084   5.310014  -1.171121
  H   0.652424   5.660012  -1.843289
  H   1.632565   6.841721   1.568680
  H   2.649294   5.415010   1.354617
  H   1.250275   5.349620   2.466230
 80
 Energy -1470.31603149    Point 24   Kin_en 1.056
  C  -1.402480  -5.376246   0.032976
  C  -0.932515  -4.046129  -0.610576
  C  -0.330008  -3.054475   0.402358
  C   1.021036  -3.763610   0.625975
  C   0.757707  -5.057400   1.443518
  C  -0.173407  -6.042595   0.709352
  C  -0.193956  -1.621826  -0.158152
  C   0.829409  -0.751942   0.640315
  C   2.186996  -1.504051   0.604692
  C   2.127082  -2.903687   1.233432
  C  -1.552883  -0.925144  -0.281498
  C  -1.421764   0.461901  -0.923681
  C  -0.460127   1.361572  -0.119922
  C   0.958351   0.691462  -0.059875
  C   1.855012   3.051376   0.269756
  C   1.864150   1.612736   0.777554
  C   0.473563   3.726809   0.410194
  C  -2.530996  -5.111559   1.047548
  C  -1.941625  -6.302027  -1.072668
  O   0.188235  -4.329960  -1.516576
  C   1.361703  -4.196776  -0.811006
  O   2.437323  -4.422176  -1.301185
  H  -0.927730  -3.036088   1.327468
  C   0.400610  -0.622991   2.123431
  H   0.213246  -1.728471  -1.180948
  C   1.596390   0.541688  -1.463022
  H  -0.824313   1.344344   0.924370
  C  -0.408665   3.204978  -1.995324
  H   0.134379   3.551730   1.450342
  C  -2.066327   3.255122  -0.103547
  C  -2.309442   4.721786  -0.209960
  O  -1.742615   5.362492   0.879904
  C  -0.631287   6.162678   0.449541
  C   0.684219   5.319859   0.336520
  C  -0.569956   2.920205  -0.487683
  C   1.422779   5.796939  -0.931428
  C   1.538009   5.731691   1.566285
  O  -2.804426   5.312003  -1.138709
  H  -1.731047  -3.615602  -1.236588
  H   0.329507  -4.752124   2.415395
  H   1.718992  -5.556176   1.656482
  H  -0.517361  -6.829556   1.402730
  H   0.411396  -6.555265  -0.073901
  H   2.518262  -1.619208  -0.439929
  H   2.960862  -0.913522   1.124148
  H   1.980529  -2.840851   2.325265
  H   3.088694  -3.418661   1.062735
  H  -2.241933  -1.539347  -0.887718
  H  -2.017874  -0.829498   0.717894
  H  -2.425869   0.905260  -0.992898
  H  -1.061243   0.345711  -1.960501
  H   2.189445   3.084827  -0.780278
  H   2.607083   3.613634   0.840153
  H   1.528991   1.621583   1.828739
  H   2.899356   1.229322   0.772597
  H  -2.977352  -6.069205   1.362091
  H  -2.179497  -4.596158   1.954362
  H  -3.333789  -4.501414   0.598721
  H  -1.194508  -6.428991  -1.870762
  H  -2.861179  -5.887034  -1.519740
  H  -2.184654  -7.294958  -0.659269
  H  -0.450953   0.055722   2.272804
  H   0.105696  -1.598265   2.537019
  H   1.233506  -0.255910   2.742817
  H   2.661572   0.278364  -1.376995
  H   1.540995   1.477727  -2.031237
  H   1.113983  -0.230486  -2.078417
  H   0.643477   3.221031  -2.310701
  H  -0.851588   4.176982  -2.261324
  H  -0.929162   2.443744  -2.596370
  H  -2.750925   2.735916  -0.785629
  H  -2.250894   2.930705   0.933109
  H  -0.886078   6.638311  -0.513211
  H  -0.512638   6.958615   1.199343
  H   1.580991   6.887785  -0.876015
  H   2.414770   5.329641  -1.029104
  H   0.848998   5.591971  -1.846524
  H   1.633578   6.829848   1.591657
  H   2.558995   5.325219   1.545723
  H   1.055184   5.412284   2.505142
 80
 Energy -1470.31697992    Point 23   Kin_en 1.054
  C  -1.403201  -5.374689   0.033738
  C  -0.933498  -4.044997  -0.611123
  C  -0.329744  -3.052562   0.400501
  C   1.021163  -3.762546   0.623645
  C   0.757994  -5.055566   1.442310
  C  -0.173722  -6.041018   0.709351
  C  -0.192317  -1.620595  -0.161787
  C   0.831945  -0.751175   0.636345
  C   2.189200  -1.503847   0.600533
  C   2.128812  -2.903417   1.229320
  C  -1.550529  -0.922334  -0.288970
  C  -1.416096   0.465432  -0.929598
  C  -0.457082   1.362300  -0.119817
  C   0.962039   0.691867  -0.064424
  C   1.866212   3.047363   0.256272
  C   1.875008   1.610789   0.768525
  C   0.487012   3.722542   0.407684
  C  -2.530724  -5.109280   1.049185
  C  -1.943479  -6.300996  -1.070940
  O   0.186265  -4.329819  -1.517813
  C   1.360436  -4.196488  -0.813494
  O   2.435448  -4.422228  -1.304860
  H  -0.926855  -3.032722   1.325976
  C   0.404341  -0.621912   2.119765
  H   0.215910  -1.729538  -1.183878
  C   1.594733   0.540601  -1.470068
  H  -0.820350   1.335443   0.924398
  C  -0.436198   3.219903  -1.980990
  H   0.158688   3.546740   1.451204
  C  -2.054850   3.259304  -0.046042
  C  -2.331412   4.718148  -0.189778
  O  -1.725515   5.417713   0.843971
  C  -0.608661   6.159506   0.327849
  C   0.700726   5.312564   0.333118
  C  -0.570610   2.923986  -0.473613
  C   1.526906   5.778630  -0.883948
  C   1.458530   5.725341   1.622209
  O  -2.889267   5.262645  -1.110005
  H  -1.732527  -3.614777  -1.236687
  H   0.330333  -4.749512   2.414171
  H   1.719276  -5.554396   1.655165
  H  -0.517256  -6.827631   1.403327
  H   0.410395  -6.554101  -0.074147
  H   2.520400  -1.618749  -0.444177
  H   2.963254  -0.913787   1.120162
  H   1.984176  -2.840413   2.321379
  H   3.089665  -3.419312   1.057129
  H  -2.237909  -1.535887  -0.897706
  H  -2.018683  -0.826827   0.708971
  H  -2.419474   0.910219  -1.003927
  H  -1.050649   0.350747  -1.964811
  H   2.190675   3.077507  -0.796875
  H   2.622786   3.614983   0.817148
  H   1.544618   1.622750   1.821233
  H   2.908538   1.223176   0.759117
  H  -2.976772  -6.066695   1.364860
  H  -2.178369  -4.593218   1.955292
  H  -3.333950  -4.499468   0.600692
  H  -1.197076  -6.428556  -1.869607
  H  -2.863366  -5.886135  -1.517451
  H  -2.186285  -7.293656  -0.656774
  H  -0.450863   0.052032   2.269654
  H   0.115472  -1.598177   2.535182
  H   1.236061  -0.249379   2.737483
  H   2.661684   0.283000  -1.388016
  H   1.532030   1.474551  -2.041306
  H   1.113931  -0.235861  -2.081117
  H   0.608301   3.194182  -2.320615
  H  -0.842263   4.213126  -2.226836
  H  -1.002407   2.488859  -2.578318
  H  -2.759223   2.708863  -0.681997
  H  -2.194225   2.965875   1.006908
  H  -0.855866   6.515397  -0.687503
  H  -0.487115   7.044933   0.970582
  H   1.635530   6.876751  -0.856295
  H   2.541625   5.352579  -0.882108
  H   1.040794   5.517614  -1.835497
  H   1.633484   6.814050   1.614299
  H   2.441003   5.242156   1.722654
  H   0.861599   5.483871   2.517487
 80
 Energy -1470.31812426    Point 22   Kin_en 1.048
  C  -1.404921  -5.372161   0.033461
  C  -0.934981  -4.043103  -0.612828
  C  -0.329720  -3.049995   0.397263
  C   1.020742  -3.761531   0.620453
  C   0.756592  -5.053423   1.440645
  C  -0.175417  -6.038957   0.708494
  C  -0.190180  -1.618567  -0.166510
  C   0.835436  -0.751102   0.632296
  C   2.191954  -1.504935   0.595035
  C   2.130919  -2.904249   1.223930
  C  -1.547463  -0.917818  -0.297287
  C  -1.408758   0.471293  -0.935180
  C  -0.451964   1.363363  -0.117737
  C   0.967423   0.692414  -0.066632
  C   1.881381   3.043315   0.255288
  C   1.886362   1.606546   0.765554
  C   0.503495   3.717274   0.408447
  C  -2.531344  -5.105528   1.049769
  C  -1.946587  -6.298864  -1.070189
  O   0.183800  -4.329512  -1.520150
  C   1.358462  -4.197388  -0.816554
  O   2.432869  -4.425174  -1.308323
  H  -0.926601  -3.028380   1.322825
  C   0.408761  -0.623346   2.116151
  H   0.219316  -1.729469  -1.187904
  C   1.596600   0.542194  -1.474189
  H  -0.815596   1.326593   0.925883
  C  -0.457713   3.233373  -1.964150
  H   0.182806   3.544096   1.454981
  C  -2.036400   3.267314   0.011738
  C  -2.352765   4.716018  -0.170487
  O  -1.711566   5.478951   0.798039
  C  -0.583281   6.145471   0.207127
  C   0.715356   5.303512   0.326313
  C  -0.566581   2.927589  -0.457190
  C   1.619859   5.758158  -0.838669
  C   1.376583   5.727615   1.662191
  O  -2.984271   5.208667  -1.071049
  H  -1.734313  -3.613032  -1.238091
  H   0.328109  -4.745959   2.411723
  H   1.717516  -5.552349   1.654787
  H  -0.518965  -6.825222   1.402852
  H   0.408151  -6.552475  -0.075128
  H   2.521803  -1.619880  -0.450154
  H   2.967009  -0.915601   1.113905
  H   1.988915  -2.841013   2.316297
  H   3.090486  -3.421788   1.049524
  H  -2.233338  -1.529925  -0.909128
  H  -2.019029  -0.823031   0.699114
  H  -2.410961   0.918831  -1.013771
  H  -1.038507   0.359126  -1.968867
  H   2.207394   3.076097  -0.797373
  H   2.636446   3.612197   0.819153
  H   1.558489   1.618545   1.819054
  H   2.918000   1.214212   0.753031
  H  -2.977376  -6.062538   1.366688
  H  -2.177929  -4.588820   1.955101
  H  -3.334819  -4.495835   0.601573
  H  -1.200877  -6.427366  -1.869350
  H  -2.866608  -5.883834  -1.516256
  H  -2.189574  -7.291117  -0.655158
  H  -0.448999   0.047090   2.267143
  H   0.123923  -1.600732   2.531575
  H   1.239619  -0.247942   2.733236
  H   2.664552   0.287848  -1.394831
  H   1.529849   1.475879  -2.045686
  H   1.116555  -0.235908  -2.083615
  H   0.576997   3.166806  -2.327818
  H  -0.825569   4.245367  -2.192921
  H  -1.067544   2.532969  -2.555231
  H  -2.758597   2.684071  -0.573139
  H  -2.130241   3.010085   1.079335
  H  -0.817694   6.383642  -0.845580
  H  -0.453989   7.101782   0.738761
  H   1.688092   6.859995  -0.842497
  H   2.645275   5.371028  -0.743826
  H   1.218525   5.447141  -1.815001
  H   1.617870   6.803437   1.635722
  H   2.312393   5.187262   1.868279
  H   0.685717   5.553657   2.503772
 80
 Energy -1470.31914152    Point 21   Kin_en 1.046
  C  -1.409088  -5.368144   0.031114
  C  -0.937100  -4.040493  -0.616884
  C  -0.329373  -3.047557   0.391843
  C   1.019714  -3.762096   0.615210
  C   0.753537  -5.052689   1.436650
  C  -0.180628  -6.036997   0.706003
  C  -0.186440  -1.616097  -0.171850
  C   0.840577  -0.752614   0.629984
  C   2.195755  -1.508575   0.589987
  C   2.132838  -2.908049   1.217557
  C  -1.542358  -0.912167  -0.305001
  C  -1.398886   0.479340  -0.937061
  C  -0.443446   1.365093  -0.111599
  C   0.975707   0.693094  -0.062899
  C   1.900789   3.039020   0.269882
  C   1.897274   1.600521   0.774296
  C   0.523320   3.712692   0.413318
  C  -2.534053  -5.098584   1.048273
  C  -1.953283  -6.295016  -1.071115
  O   0.180642  -4.329992  -1.524640
  C   1.355803  -4.199347  -0.821676
  O   2.429668  -4.429149  -1.313713
  H  -0.926218  -3.024122   1.317345
  C   0.414159  -0.629593   2.114371
  H   0.224833  -1.727001  -1.192580
  C   1.605305   0.547844  -1.470794
  H  -0.808795   1.319840   0.931079
  C  -0.468822   3.241396  -1.946598
  H   0.204782   3.546595   1.461882
  C  -2.010312   3.278903   0.063730
  C  -2.375078   4.714472  -0.154044
  O  -1.704741   5.545316   0.738740
  C  -0.558625   6.123660   0.091626
  C   0.728414   5.294965   0.315121
  C  -0.555921   2.930738  -0.439394
  C   1.698202   5.736173  -0.802283
  C   1.301351   5.744473   1.681454
  O  -3.095200   5.148172  -1.016382
  H  -1.735998  -3.609485  -1.242043
  H   0.326759  -4.743561   2.407962
  H   1.713768  -5.553113   1.650437
  H  -0.525817  -6.821730   1.401247
  H   0.401487  -6.552529  -0.077369
  H   2.524106  -1.622859  -0.455743
  H   2.972583  -0.921392   1.108568
  H   1.993197  -2.845520   2.310240
  H   3.090765  -3.427796   1.040709
  H  -2.226904  -1.521171  -0.921395
  H  -2.017255  -0.820017   0.690082
  H  -2.399683   0.930554  -1.017929
  H  -1.025262   0.371172  -1.969897
  H   2.239100   3.077173  -0.778740
  H   2.647772   3.607180   0.846852
  H   1.566478   1.610349   1.826884
  H   2.926857   1.202924   0.763287
  H  -2.981611  -6.054528   1.366254
  H  -2.178743  -4.582005   1.952941
  H  -3.336804  -4.487634   0.600496
  H  -1.208397  -6.425817  -1.870666
  H  -2.872918  -5.878933  -1.517002
  H  -2.197640  -7.286359  -0.654704
  H  -0.443763   0.040096   2.267809
  H   0.129484  -1.608203   2.526815
  H   1.245035  -0.256171   2.732610
  H   2.671867   0.287538  -1.392079
  H   1.544565   1.485699  -2.036292
  H   1.121642  -0.223713  -2.085612
  H   0.555699   3.141532  -2.331296
  H  -0.805176   4.266407  -2.164707
  H  -1.113689   2.565522  -2.528871
  H  -2.746488   2.663666  -0.469030
  H  -2.062956   3.060267   1.143115
  H  -0.775244   6.254353  -0.984146
  H  -0.419018   7.130807   0.517845
  H   1.738799   6.838822  -0.838994
  H   2.724117   5.380912  -0.626323
  H   1.372012   5.382368  -1.792416
  H   1.575892   6.812132   1.645494
  H   2.202375   5.180676   1.967451
  H   0.545431   5.611484   2.472802
 80
 Energy -1470.31986038    Point 20   Kin_en 1.047
  C  -1.416303  -5.361648   0.024873
  C  -0.939557  -4.035490  -0.623058
  C  -0.327870  -3.045779   0.386362
  C   1.018686  -3.765524   0.608607
  C   0.748272  -5.055738   1.429166
  C  -0.190181  -6.035833   0.698563
  C  -0.180081  -1.613345  -0.173860
  C   0.848478  -0.755903   0.633030
  C   2.201574  -1.515391   0.589046
  C   2.135250  -2.916642   1.211934
  C  -1.534282  -0.905881  -0.306989
  C  -1.385357   0.487441  -0.933127
  C  -0.430705   1.367313  -0.100996
  C   0.987685   0.693716  -0.050709
  C   1.922465   3.035230   0.295761
  C   1.907006   1.595249   0.796224
  C   0.544877   3.710212   0.420174
  C  -2.539351  -5.087998   1.043110
  C  -1.965238  -6.286140  -1.076977
  O   0.176680  -4.328455  -1.531474
  C   1.352585  -4.202744  -0.828890
  O   2.425436  -4.435794  -1.321618
  H  -0.924592  -3.021712   1.311858
  C   0.421702  -0.639336   2.117794
  H   0.232649  -1.722238  -1.194310
  C   1.622945   0.555568  -1.456604
  H  -0.799456   1.318235   0.940450
  C  -0.463612   3.239235  -1.934007
  H   0.222485   3.554196   1.469349
  C  -1.978663   3.293257   0.097037
  C  -2.399822   4.714301  -0.142498
  O  -1.708985   5.613272   0.666144
  C  -0.537583   6.099335  -0.010390
  C   0.739170   5.288224   0.300339
  C  -0.537852   2.933059  -0.424877
  C   1.755755   5.714424  -0.781652
  C   1.242551   5.773220   1.680519
  O  -3.223727   5.083971  -0.938253
  H  -1.737289  -3.601480  -1.247613
  H   0.323498  -4.745698   2.401064
  H   1.706802  -5.559906   1.641794
  H  -0.538133  -6.819577   1.393546
  H   0.389381  -6.553247  -0.085468
  H   2.528333  -1.627169  -0.457444
  H   2.980745  -0.932254   1.108700
  H   1.997301  -2.857167   2.304997
  H   3.091297  -3.438842   1.032132
  H  -2.218704  -1.510974  -0.927331
  H  -2.011084  -0.816561   0.687447
  H  -2.384432   0.942779  -1.016489
  H  -1.008087   0.381935  -1.964880
  H   2.278999   3.075957  -0.746668
  H   2.659015   3.602127   0.888426
  H   1.566756   1.603958   1.845803
  H   2.934611   1.192478   0.793456
  H  -2.990848  -6.042291   1.360444
  H  -2.181167  -4.573930   1.948070
  H  -3.339780  -4.473104   0.596566
  H  -1.221889  -6.419406  -1.877563
  H  -2.883989  -5.866649  -1.521441
  H  -2.212607  -7.276726  -0.660531
  H  -0.433380   0.033350   2.274070
  H   0.132782  -1.618740   2.525226
  H   1.253887  -0.272599   2.738265
  H   2.687421   0.287802  -1.375083
  H   1.571365   1.498164  -2.015039
  H   1.136905  -0.208088  -2.079471
  H   0.554572   3.122677  -2.330862
  H  -0.785937   4.268372  -2.152587
  H  -1.125515   2.571972  -2.506807
  H  -2.723596   2.652431  -0.392005
  H  -2.003623   3.107374   1.184278
  H  -0.732711   6.142572  -1.097564
  H  -0.386661   7.138308   0.327402
  H   1.780216   6.816011  -0.849649
  H   2.777190   5.382902  -0.544925
  H   1.485535   5.325555  -1.775775
  H   1.526263   6.838087   1.632561
  H   2.123525   5.209195   2.024414
  H   0.445709   5.663731   2.434224
 80
 Energy -1470.32040998    Point 19   Kin_en 1.051
  C  -1.424363  -5.354403   0.015721
  C  -0.941812  -4.028558  -0.628675
  C  -0.326387  -3.044450   0.383875
  C   1.017198  -3.769936   0.604264
  C   0.741330  -5.061459   1.421026
  C  -0.200953  -6.035582   0.687317
  C  -0.173544  -1.610607  -0.171037
  C   0.856721  -0.759121   0.640360
  C   2.207259  -1.523225   0.593681
  C   2.136359  -2.926804   1.210935
  C  -1.525745  -0.899516  -0.302888
  C  -1.370796   0.493101  -0.927845
  C  -0.415992   1.369816  -0.093048
  C   1.001009   0.693545  -0.036377
  C   1.943341   3.031846   0.321088
  C   1.915609   1.591267   0.820554
  C   0.565213   3.708163   0.423096
  C  -2.546138  -5.078566   1.034816
  C  -1.977400  -6.273493  -1.088563
  O   0.173504  -4.323825  -1.537501
  C   1.349737  -4.204928  -0.834254
  O   2.421673  -4.442217  -1.326938
  H  -0.923221  -3.021308   1.309308
  C   0.428724  -0.647126   2.124989
  H   0.239881  -1.716601  -1.191611
  C   1.645081   0.559876  -1.438495
  H  -0.789052   1.323140   0.947234
  C  -0.441077   3.229725  -1.933612
  H   0.234022   3.560286   1.470961
  C  -1.947348   3.308395   0.100805
  C  -2.426969   4.717446  -0.133591
  O  -1.719403   5.675496   0.585232
  C  -0.518007   6.076461  -0.094320
  C   0.748568   5.282085   0.285567
  C  -0.515349   2.934797  -0.421645
  C   1.797778   5.697148  -0.770333
  C   1.200126   5.799000   1.671050
  O  -3.362204   5.026104  -0.825486
  H  -1.737438  -3.589390  -1.252288
  H   0.317111  -4.752477   2.393501
  H   1.697686  -5.570139   1.632670
  H  -0.552058  -6.820015   1.379933
  H   0.376515  -6.552938  -0.098289
  H   2.533486  -1.632283  -0.453232
  H   2.988653  -0.944808   1.115358
  H   1.998315  -2.871217   2.304209
  H   3.090849  -3.451224   1.029304
  H  -2.211896  -1.501702  -0.924099
  H  -2.002363  -0.809691   0.691591
  H  -2.367839   0.952574  -1.014743
  H  -0.990565   0.385513  -1.958340
  H   2.318633   3.072360  -0.714660
  H   2.669195   3.598244   0.928049
  H   1.563457   1.600937   1.866201
  H   2.941356   1.183828   0.829304
  H  -3.002078  -6.031669   1.349380
  H  -2.185619  -4.568853   1.941306
  H  -3.343672  -4.458650   0.590062
  H  -1.234592  -6.408017  -1.889426
  H  -2.894218  -5.848715  -1.532042
  H  -2.229170  -7.264066  -0.674759
  H  -0.422772   0.029866   2.282685
  H   0.133620  -1.626616   2.527765
  H   1.262073  -0.287731   2.748215
  H   2.707804   0.287067  -1.351101
  H   1.601874   1.505389  -1.992469
  H   1.159684  -0.198692  -2.068180
  H   0.577306   3.114603  -2.330518
  H  -0.767746   4.255211  -2.161378
  H  -1.099907   2.555098  -2.501020
  H  -2.696395   2.653757  -0.363142
  H  -1.963331   3.138170   1.191911
  H  -0.689033   6.055011  -1.185953
  H  -0.356163   7.132960   0.177943
  H   1.814677   6.797188  -0.860453
  H   2.813007   5.380401  -0.491150
  H   1.566492   5.284919  -1.764965
  H   1.482347   6.863754   1.611980
  H   2.070207   5.243797   2.055411
  H   0.377747   5.701583   2.398417
 80
 Energy -1470.32105631    Point 18   Kin_en 1.052
  C  -1.430565  -5.349168   0.007452
  C  -0.943458  -4.022894  -0.632376
  C  -0.326466  -3.043477   0.383670
  C   1.014673  -3.773236   0.603748
  C   0.734479  -5.066677   1.415968
  C  -0.209892  -6.035859   0.678355
  C  -0.169030  -1.608734  -0.167619
  C   0.862011  -0.761168   0.646833
  C   2.210332  -1.529464   0.601459
  C   2.134262  -2.934254   1.215357
  C  -1.519091  -0.894135  -0.299622
  C  -1.358408   0.496293  -0.927202
  C  -0.402847   1.372684  -0.093073
  C   1.012183   0.692473  -0.027257
  C   1.960475   3.028152   0.339641
  C   1.922539   1.587246   0.837841
  C   0.581825   3.705271   0.420888
  C  -2.552702  -5.072994   1.026075
  C  -1.985083  -6.263187  -1.100293
  O   0.172266  -4.318517  -1.540691
  C   1.347998  -4.204639  -0.835716
  O   2.419958  -4.442629  -1.327994
  H  -0.924379  -3.021055   1.308423
  C   0.430903  -0.649691   2.130554
  H   0.245363  -1.713307  -1.188014
  C   1.664988   0.559286  -1.425139
  H  -0.780389   1.332714   0.946093
  C  -0.406206   3.218684  -1.945558
  H   0.238893   3.560408   1.465653
  C  -1.921380   3.322324   0.077907
  C  -2.453681   4.724315  -0.122358
  O  -1.728313   5.728946   0.500368
  C  -0.496711   6.055739  -0.165558
  C   0.757260   5.275861   0.274720
  C  -0.492743   2.936962  -0.431073
  C   1.835293   5.685117  -0.755414
  C   1.163440   5.815433   1.664720
  O  -3.492019   4.978653  -0.676871
  H  -1.737016  -3.579665  -1.255748
  H   0.310665  -4.759724   2.389258
  H   1.689286  -5.578699   1.626562
  H  -0.563994  -6.821302   1.368290
  H   0.366902  -6.552569  -0.108164
  H   2.538307  -1.637623  -0.444949
  H   2.992537  -0.954500   1.125783
  H   1.993082  -2.880843   2.308366
  H   3.088086  -3.460448   1.035336
  H  -2.207355  -1.494783  -0.919952
  H  -1.995275  -0.801238   0.694743
  H  -2.353628   0.958969  -1.017964
  H  -0.975953   0.383616  -1.956394
  H   2.352361   3.068830  -0.689961
  H   2.676664   3.593863   0.959139
  H   1.560432   1.597738   1.880051
  H   2.946684   1.176093   0.856310
  H  -3.011874  -6.025643   1.337286
  H  -2.191688  -4.567079   1.934491
  H  -3.347849  -4.449351   0.582271
  H  -1.241640  -6.397774  -1.900564
  H  -2.899869  -5.834034  -1.543746
  H  -2.240774  -7.254129  -0.689779
  H  -0.416220   0.033184   2.287079
  H   0.127794  -1.627955   2.530423
  H   1.265038  -0.297474   2.756827
  H   2.725539   0.280291  -1.331667
  H   1.630841   1.506512  -1.976638
  H   1.179123  -0.194839  -2.059930
  H   0.617856   3.118110  -2.331849
  H  -0.748994   4.235375  -2.187688
  H  -1.046939   2.526801  -2.512743
  H  -2.671358   2.666922  -0.383440
  H  -1.946195   3.145142   1.169202
  H  -0.642117   5.982524  -1.257760
  H  -0.325665   7.122457   0.056157
  H   1.850105   6.783995  -0.857836
  H   2.842832   5.376041  -0.442413
  H   1.635743   5.259957  -1.751557
  H   1.440417   6.881293   1.600215
  H   2.025747   5.270102   2.079916
  H   0.321584   5.721941   2.369902
 80
 Energy -1470.32180498    Point 17   Kin_en 1.048
  C  -1.435451  -5.345234   0.000222
  C  -0.944145  -4.018817  -0.636123
  C  -0.327779  -3.042374   0.383141
  C   1.011346  -3.775050   0.605306
  C   0.727065  -5.070010   1.413693
  C  -0.217434  -6.035830   0.671880
  C  -0.165852  -1.607339  -0.166135
  C   0.864463  -0.762125   0.651524
  C   2.211171  -1.533637   0.610623
  C   2.129899  -2.938949   1.222590
  C  -1.513784  -0.889736  -0.300753
  C  -1.347375   0.497943  -0.932362
  C  -0.392019   1.375355  -0.099120
  C   1.020854   0.691425  -0.021920
  C   1.972182   3.025411   0.353956
  C   1.925954   1.584359   0.851036
  C   0.592988   3.703078   0.415356
  C  -2.558677  -5.068674   1.017543
  C  -1.990092  -6.255806  -1.110276
  O   0.173349  -4.314848  -1.542104
  C   1.347683  -4.203516  -0.834350
  O   2.420317  -4.441649  -1.325108
  H  -0.927944  -3.020014   1.306423
  C   0.427981  -0.649324   2.133552
  H   0.250776  -1.711655  -1.185696
  C   1.683703   0.556793  -1.414770
  H  -0.774856   1.343135   0.938542
  C  -0.366027   3.206742  -1.964380
  H   0.236357   3.559778   1.455953
  C  -1.902432   3.332663   0.040974
  C  -2.476304   4.731526  -0.103129
  O  -1.732471   5.772530   0.416245
  C  -0.476607   6.036872  -0.233329
  C   0.762977   5.271423   0.263819
  C  -0.472693   2.939056  -0.447852
  C   1.870212   5.677049  -0.737515
  C   1.123390   5.828777   1.658713
  O  -3.594964   4.938962  -0.501134
  H  -1.735103  -3.573095  -1.260985
  H   0.301727  -4.764627   2.386811
  H   1.680557  -5.584142   1.625150
  H  -0.574365  -6.822187   1.359310
  H   0.359945  -6.551793  -0.114698
  H   2.542731  -1.641825  -0.434607
  H   2.992872  -0.961022   1.138295
  H   1.983956  -2.886598   2.315059
  H   3.083633  -3.466510   1.046136
  H  -2.203310  -1.489776  -0.920246
  H  -1.990657  -0.792726   0.692836
  H  -2.340939   0.963004  -1.027991
  H  -0.962036   0.379272  -1.959876
  H   2.377724   3.065558  -0.670322
  H   2.679932   3.590934   0.983562
  H   1.554509   1.595373   1.889916
  H   2.948876   1.170664   0.878657
  H  -3.020663  -6.020942   1.325742
  H  -2.198019  -4.565757   1.927762
  H  -3.351581  -4.442097   0.573859
  H  -1.245657  -6.390302  -1.909656
  H  -2.903288  -5.823835  -1.554264
  H  -2.248493  -7.247065  -0.702236
  H  -0.415825   0.038483   2.286549
  H   0.117412  -1.626071   2.531480
  H   1.261462  -0.302386   2.763619
  H   2.742828   0.275183  -1.313581
  H   1.655959   1.503901  -1.966631
  H   1.200585  -0.196442  -2.052829
  H   0.666785   3.130108  -2.332644
  H  -0.732561   4.210122  -2.225346
  H  -0.977426   2.491019  -2.534193
  H  -2.651047   2.687064  -0.436023
  H  -1.947630   3.128682   1.128219
  H  -0.599771   5.915438  -1.322866
  H  -0.297773   7.110464  -0.056458
  H   1.886067   6.775099  -0.846886
  H   2.868295   5.371939  -0.392478
  H   1.701467   5.244484  -1.736237
  H   1.395035   6.895882   1.592163
  H   1.977174   5.292438   2.102710
  H   0.262722   5.736286   2.340792
 80
 Energy -1470.32255894    Point 16   Kin_en 1.046
  C  -1.439810  -5.341511  -0.007383
  C  -0.943726  -4.015431  -0.640692
  C  -0.329323  -3.041079   0.381587
  C   1.007501  -3.776202   0.608201
  C   0.718239  -5.072004   1.413511
  C  -0.225156  -6.035267   0.666974
  C  -0.162692  -1.606160  -0.166581
  C   0.865166  -0.762248   0.655303
  C   2.210552  -1.536544   0.621147
  C   2.123819  -2.942001   1.232058
  C  -1.508794  -0.886752  -0.305906
  C  -1.337077   0.497798  -0.942099
  C  -0.383036   1.377287  -0.109652
  C   1.028005   0.691202  -0.017890
  C   1.977204   3.025575   0.370819
  C   1.923728   1.583889   0.865375
  C   0.597067   3.703020   0.406563
  C  -2.565347  -5.063893   1.007100
  C  -1.993178  -6.249427  -1.120669
  O   0.176548  -4.312600  -1.542794
  C   1.348646  -4.203289  -0.830774
  O   2.422582  -4.442236  -1.318262
  H  -0.932918  -3.018074   1.302599
  C   0.421095  -0.647709   2.134963
  H   0.257668  -1.710584  -1.184674
  C   1.704414   0.555442  -1.403717
  H  -0.772079   1.353332   0.926031
  C  -0.322867   3.192457  -1.988256
  H   0.223361   3.563802   1.441877
  C  -1.891433   3.337502  -0.007537
  C  -2.491789   4.736865  -0.071368
  O  -1.731064   5.803609   0.344968
  C  -0.462589   6.017936  -0.300032
  C   0.764212   5.269664   0.247332
  C  -0.456011   2.939927  -0.470395
  C   1.898752   5.671301  -0.725440
  C   1.080347   5.845434   1.644968
  O  -3.662570   4.907912  -0.306196
  H  -1.731825  -3.567698  -1.267750
  H   0.289853  -4.767444   2.385543
  H   1.670186  -5.587892   1.627630
  H  -0.585546  -6.822142   1.352001
  H   0.353961  -6.550852  -0.118564
  H   2.546873  -1.645542  -0.422425
  H   2.991053  -0.965539   1.152450
  H   1.971434  -2.889994   2.323695
  H   3.077923  -3.470672   1.060981
  H  -2.198436  -1.487060  -0.924988
  H  -1.987563  -0.785412   0.686294
  H  -2.329168   0.964531  -1.042946
  H  -0.948353   0.372694  -1.967665
  H   2.403318   3.067061  -0.645087
  H   2.671740   3.591154   1.015271
  H   1.539951   1.594228   1.899697
  H   2.946081   1.169682   0.904993
  H  -3.030417  -6.015564   1.312490
  H  -2.206170  -4.563242   1.919144
  H  -3.355529  -4.434796   0.562135
  H  -1.246740  -6.384425  -1.918100
  H  -2.904183  -5.814912  -1.566673
  H  -2.254843  -7.240696  -0.714737
  H  -0.419282   0.045396   2.283241
  H   0.102116  -1.622713   2.530558
  H   1.253033  -0.306326   2.770062
  H   2.760897   0.267947  -1.292447
  H   1.687305   1.503577  -1.954071
  H   1.223380  -0.194289  -2.047674
  H   0.719801   3.145115  -2.333101
  H  -0.716319   4.179057  -2.272153
  H  -0.897527   2.450033  -2.561951
  H  -2.635495   2.716718  -0.523418
  H  -1.970094   3.082006   1.067760
  H  -0.573661   5.846787  -1.383018
  H  -0.278281   7.097064  -0.169466
  H   1.914949   6.768462  -0.841836
  H   2.886852   5.370789  -0.349351
  H   1.760455   5.231241  -1.725606
  H   1.346497   6.913717   1.574549
  H   1.925337   5.319329   2.117237
  H   0.202205   5.754274   2.304396
 80
 Energy -1470.32318319    Point 15   Kin_en 1.047
  C  -1.443467  -5.338181  -0.016516
  C  -0.941786  -4.012846  -0.646874
  C  -0.331706  -3.039645   0.378948
  C   1.002643  -3.776464   0.613128
  C   0.707351  -5.072626   1.415729
  C  -0.233309  -6.034171   0.663489
  C  -0.160121  -1.605031  -0.168505
  C   0.863441  -0.761499   0.658959
  C   2.207892  -1.537990   0.634311
  C   2.115120  -2.943175   1.245070
  C  -1.504647  -0.884831  -0.314358
  C  -1.328357   0.496687  -0.954995
  C  -0.375967   1.378886  -0.123705
  C   1.033145   0.691758  -0.014175
  C   1.974515   3.028181   0.388989
  C   1.915220   1.586051   0.881647
  C   0.593578   3.705401   0.395363
  C  -2.573370  -5.058873   0.992673
  C  -1.993245  -6.244544  -1.132833
  O   0.183219  -4.311201  -1.542658
  C   1.351585  -4.202826  -0.824217
  O   2.427954  -4.441866  -1.306232
  H  -0.940515  -3.015677   1.296480
  C   0.409160  -0.644823   2.135368
  H   0.265567  -1.709599  -1.184457
  C   1.726633   0.554852  -1.390937
  H  -0.771973   1.364554   0.909589
  C  -0.273821   3.176282  -2.016364
  H   0.199432   3.573633   1.424208
  C  -1.889117   3.338051  -0.072599
  C  -2.498592   4.739305  -0.025537
  O  -1.724643   5.820866   0.301422
  C  -0.458044   5.998838  -0.359009
  C   0.761526   5.270059   0.224080
  C  -0.442329   2.939729  -0.498361
  C   1.915548   5.665469  -0.728094
  C   1.044360   5.865198   1.620496
  O  -3.694224   4.883909  -0.102607
  H  -1.725699  -3.563813  -1.278239
  H   0.274191  -4.768305   2.385722
  H   1.657507  -5.589861   1.634529
  H  -0.598251  -6.821083   1.346057
  H   0.349170  -6.549879  -0.119473
  H   2.550958  -1.648380  -0.406853
  H   2.985650  -0.967725   1.170451
  H   1.954110  -2.890407   2.335449
  H   3.070116  -3.472678   1.081745
  H  -2.193363  -1.486143  -0.933479
  H  -1.986381  -0.779408   0.675921
  H  -2.319158   0.964753  -1.060210
  H  -0.936696   0.365655  -1.978831
  H   2.420970   3.070369  -0.618160
  H   2.655043   3.595189   1.047192
  H   1.516157   1.595270   1.910078
  H   2.937573   1.173411   0.936337
  H  -3.042004  -6.009778   1.294978
  H  -2.217598  -4.559776   1.906895
  H  -3.360004  -4.427693   0.544384
  H  -1.243404  -6.380363  -1.926939
  H  -2.901453  -5.808181  -1.582718
  H  -2.258482  -7.235602  -0.728714
  H  -0.427131   0.054598   2.277428
  H   0.079894  -1.617629   2.527971
  H   1.238701  -0.309900   2.777000
  H   2.779781   0.260605  -1.266987
  H   1.722416   1.503985  -1.939572
  H   1.248722  -0.190878  -2.042066
  H   0.779480   3.165441  -2.330568
  H  -0.697439   4.141708  -2.328001
  H  -0.801604   2.403620  -2.594959
  H  -2.620246   2.767343  -0.660807
  H  -2.023477   2.998220   0.973558
  H  -0.572855   5.778556  -1.431733
  H  -0.271010   7.082100  -0.276318
  H   1.936074   6.761995  -0.848948
  H   2.895192   5.365125  -0.330499
  H   1.797841   5.221014  -1.728948
  H   1.302766   6.934883   1.543089
  H   1.884493   5.351401   2.114488
  H   0.154521   5.774127   2.263714
 80
 Energy -1470.32376763    Point 14   Kin_en 1.053
  C  -1.446155  -5.334956  -0.027031
  C  -0.938467  -4.010466  -0.654381
  C  -0.335206  -3.037393   0.375464
  C   0.996651  -3.775090   0.619953
  C   0.694568  -5.071212   1.420152
  C  -0.241394  -6.032089   0.661231
  C  -0.159148  -1.602900  -0.171199
  C   0.858897  -0.759358   0.662781
  C   2.202644  -1.537465   0.650171
  C   2.103857  -2.942019   1.261330
  C  -1.502591  -0.882498  -0.323451
  C  -1.324470   0.497660  -0.966111
  C  -0.370577   1.381757  -0.139002
  C   1.035977   0.693007  -0.011247
  C   1.966289   3.032606   0.405113
  C   1.903449   1.590149   0.896472
  C   0.584824   3.709553   0.382602
  C  -2.582295  -5.054028   0.974721
  C  -1.989778  -6.240896  -1.146673
  O   0.192973  -4.310262  -1.541551
  C   1.356200  -4.201692  -0.814712
  O   2.435963  -4.440997  -1.288947
  H  -0.950719  -3.012621   1.288477
  C   0.392332  -0.639936   2.135145
  H   0.272428  -1.707204  -1.184751
  C   1.747334   0.553023  -1.378127
  H  -0.772002   1.380792   0.892464
  C  -0.216726   3.160699  -2.045942
  H   0.169132   3.586388   1.404113
  C  -1.893743   3.338063  -0.157384
  C  -2.497660   4.735181   0.028851
  O  -1.717278   5.825265   0.288229
  C  -0.463550   5.981894  -0.401596
  C   0.756659   5.271628   0.197938
  C  -0.430060   2.939424  -0.530329
  C   1.918693   5.659995  -0.746897
  C   1.024946   5.883949   1.589711
  O  -3.696743   4.855888   0.094707
  H  -1.717179  -3.560950  -1.291833
  H   0.254620  -4.766669   2.387006
  H   1.642770  -5.589095   1.645787
  H  -0.611677  -6.818745   1.341212
  H   0.346112  -6.548167  -0.117712
  H   2.553849  -1.650129  -0.387944
  H   2.976811  -0.967144   1.191508
  H   1.933057  -2.888793   2.350216
  H   3.060163  -3.471851   1.106845
  H  -2.189683  -1.484541  -0.943699
  H  -1.987399  -0.775110   0.665084
  H  -2.314536   0.967616  -1.068353
  H  -0.935160   0.363776  -1.990623
  H   2.430801   3.074618  -0.593844
  H   2.633827   3.601953   1.074524
  H   1.489609   1.597880   1.918954
  H   2.926226   1.180631   0.965946
  H  -3.054359  -6.004271   1.273756
  H  -2.231824  -4.555659   1.891369
  H  -3.365003  -4.421574   0.521389
  H  -1.234933  -6.377785  -1.935859
  H  -2.894474  -5.803443  -1.602524
  H  -2.258917  -7.231550  -0.744155
  H  -0.441485   0.064019   2.269416
  H   0.054533  -1.610912   2.525101
  H   1.217860  -0.309124   2.784021
  H   2.795335   0.247030  -1.240583
  H   1.761489   1.503510  -1.923781
  H   1.269865  -0.185639  -2.037836
  H   0.845794   3.174448  -2.326736
  H  -0.655764   4.109941  -2.385058
  H  -0.704500   2.366430  -2.630468
  H  -2.594728   2.853438  -0.852143
  H  -2.112883   2.883984   0.828477
  H  -0.593996   5.720543  -1.462702
  H  -0.278076   7.067730  -0.360460
  H   1.944369   6.756154  -0.869543
  H   2.893890   5.356517  -0.340856
  H   1.807861   5.214613  -1.748010
  H   1.275638   6.954713   1.502230
  H   1.866153   5.382224   2.093997
  H   0.132030   5.793186   2.228349
 80
 Energy -1470.32449677    Point 13   Kin_en 1.052
  C  -1.448795  -5.331385  -0.037011
  C  -0.936070  -4.007251  -0.661299
  C  -0.340429  -3.033556   0.372334
  C   0.989134  -3.771845   0.627667
  C   0.680761  -5.067877   1.425678
  C  -0.249240  -6.028854   0.659812
  C  -0.160159  -1.599000  -0.173887
  C   0.852562  -0.755609   0.666706
  C   2.195489  -1.535471   0.666659
  C   2.090610  -2.938924   1.278808
  C  -1.502385  -0.877749  -0.333305
  C  -1.322061   0.501613  -0.977620
  C  -0.365900   1.386406  -0.154500
  C   1.037563   0.695331  -0.008760
  C   1.957297   3.038529   0.418034
  C   1.891947   1.595736   0.908767
  C   0.575448   3.714623   0.368651
  C  -2.591658  -5.049723   0.956845
  C  -1.984934  -6.237437  -1.160144
  O   0.202043  -4.307860  -1.539633
  C   1.359854  -4.198927  -0.804103
  O   2.443113  -4.438407  -1.270219
  H  -0.962788  -3.008018   1.280677
  C   0.373563  -0.632684   2.134750
  H   0.277537  -1.703463  -1.184809
  C   1.766533   0.549591  -1.365411
  H  -0.773577   1.400854   0.874689
  C  -0.154739   3.146399  -2.074180
  H   0.139439   3.598660   1.382534
  C  -1.899272   3.340677  -0.252852
  C  -2.489850   4.718806   0.086704
  O  -1.712986   5.819518   0.291342
  C  -0.476837   5.967360  -0.430644
  C   0.749946   5.274106   0.172493
  C  -0.417218   2.939277  -0.563613
  C   1.911974   5.657820  -0.773623
  C   1.015821   5.900214   1.558746
  O  -3.677784   4.810692   0.279487
  H  -1.709866  -3.557994  -1.304928
  H   0.233374  -4.763138   2.389049
  H   1.627294  -5.585524   1.658766
  H  -0.624517  -6.815642   1.336896
  H   0.344003  -6.544713  -0.114914
  H   2.554846  -1.651247  -0.368193
  H   2.965908  -0.964564   1.212789
  H   1.909265  -2.884634   2.365958
  H   3.048191  -3.469223   1.134004
  H  -2.187743  -1.480487  -0.954828
  H  -1.990946  -0.768773   0.653175
  H  -2.310619   0.975790  -1.076455
  H  -0.935397   0.365910  -2.003043
  H   2.437977   3.080232  -0.573268
  H   2.612890   3.610474   1.097001
  H   1.465722   1.602394   1.926040
  H   2.915119   1.189346   0.991038
  H  -3.066243  -5.999685   1.252782
  H  -2.247225  -4.551404   1.875808
  H  -3.370920  -4.416908   0.498097
  H  -1.224628  -6.374933  -1.943973
  H  -2.886237  -5.799763  -1.622464
  H  -2.257336  -7.227837  -0.759195
  H  -0.457599   0.075978   2.260838
  H   0.027056  -1.601547   2.522417
  H   1.194966  -0.305751   2.790786
  H   2.808090   0.229218  -1.213428
  H   1.802585   1.500630  -1.908367
  H   1.288258  -0.180988  -2.033689
  H   0.915371   3.160851  -2.322978
  H  -0.585040   4.091256  -2.436198
  H  -0.622301   2.344744  -2.665424
  H  -2.549214   2.978670  -1.064987
  H  -2.220213   2.764484   0.634229
  H  -0.626064   5.675242  -1.481020
  H  -0.297123   7.054833  -0.421539
  H   1.940216   6.753859  -0.896732
  H   2.886298   5.352215  -0.366896
  H   1.800791   5.212201  -1.774378
  H   1.258668   6.971907   1.461266
  H   1.861845   5.409366   2.065388
  H   0.125201   5.808884   2.200208
 80
 Energy -1470.32548143    Point 12   Kin_en 1.054
  C  -1.452343  -5.326946  -0.046000
  C  -0.935350  -4.002877  -0.667347
  C  -0.347401  -3.028211   0.369814
  C   0.979954  -3.767043   0.635848
  C   0.666132  -5.063401   1.431197
  C  -0.257428  -6.024652   0.658262
  C  -0.161789  -1.594013  -0.176756
  C   0.844903  -0.750354   0.671152
  C   2.186900  -1.532014   0.684394
  C   2.075462  -2.934417   1.297046
  C  -1.501900  -0.871114  -0.348901
  C  -1.313747   0.505121  -0.998385
  C  -0.362373   1.391407  -0.171982
  C   1.038430   0.698926  -0.005803
  C   1.949579   3.045625   0.427627
  C   1.880334   1.603155   0.920104
  C   0.567662   3.720037   0.353038
  C  -2.600839  -5.045177   0.941327
  C  -1.981789  -6.233085  -1.172181
  O   0.209279  -4.303924  -1.537064
  C   1.361690  -4.194325  -0.793072
  O   2.448291  -4.434149  -1.251199
  H  -0.976768  -3.001431   1.273295
  C   0.352947  -0.623283   2.134417
  H   0.284220  -1.700190  -1.183890
  C   1.785967   0.546273  -1.351468
  H  -0.781884   1.418308   0.852462
  C  -0.096220   3.133883  -2.100132
  H   0.113547   3.609749   1.359529
  C  -1.900929   3.347542  -0.341401
  C  -2.475023   4.689966   0.146069
  O  -1.712559   5.807302   0.298199
  C  -0.495230   5.953659  -0.454505
  C   0.741359   5.277452   0.147190
  C  -0.404507   2.939046  -0.596099
  C   1.900744   5.659125  -0.802116
  C   1.007296   5.915602   1.528191
  O  -3.640259   4.746173   0.456638
  H  -1.704492  -3.554279  -1.316990
  H   0.211341  -4.759178   2.391219
  H   1.611406  -5.580190   1.671260
  H  -0.637029  -6.812136   1.332124
  H   0.341478  -6.539526  -0.112741
  H   2.555166  -1.650675  -0.346849
  H   2.953174  -0.960742   1.236019
  H   1.883197  -2.879244   2.382311
  H   3.034222  -3.465254   1.162267
  H  -2.183809  -1.475525  -0.972612
  H  -1.997307  -0.756908   0.633552
  H  -2.299444   0.983668  -1.107461
  H  -0.919636   0.363317  -2.020310
  H   2.445838   3.086066  -0.555990
  H   2.593540   3.620512   1.115154
  H   1.441533   1.610877   1.931941
  H   2.903234   1.198956   1.015838
  H  -3.078540  -5.994982   1.232745
  H  -2.260883  -4.549416   1.863306
  H  -3.376468  -4.410352   0.479242
  H  -1.216858  -6.370619  -1.951496
  H  -2.880459  -5.795680  -1.639861
  H  -2.256292  -7.223497  -0.772672
  H  -0.476328   0.089262   2.251122
  H  -0.000949  -1.590056   2.520639
  H   1.169555  -0.298281   2.797399
  H   2.821409   0.214628  -1.183922
  H   1.841818   1.496454  -1.893387
  H   1.309669  -0.178791  -2.027226
  H   0.980016   3.139382  -2.319668
  H  -0.508394   4.080157  -2.479489
  H  -0.553323   2.331622  -2.698971
  H  -2.491414   3.124199  -1.246316
  H  -2.314076   2.670990   0.425696
  H  -0.662044   5.636148  -1.494846
  H  -0.324541   7.042425  -0.471191
  H   1.929051   6.755030  -0.926463
  H   2.875389   5.353973  -0.395447
  H   1.789200   5.212208  -1.801986
  H   1.238850   6.988937   1.421555
  H   1.861316   5.437427   2.033323
  H   0.121449   5.820236   2.175270
 80
 Energy -1470.32669311    Point 11   Kin_en 1.053
  C  -1.456625  -5.322053  -0.053898
  C  -0.935394  -3.998217  -0.672477
  C  -0.354826  -3.022235   0.367668
  C   0.970110  -3.761928   0.644613
  C   0.650551  -5.058284   1.437632
  C  -0.266378  -6.019967   0.657726
  C  -0.162528  -1.589292  -0.180742
  C   0.835956  -0.744182   0.675824
  C   2.177135  -1.527330   0.704017
  C   2.059203  -2.929251   1.316185
  C  -1.499565  -0.865000  -0.372476
  C  -1.298749   0.505952  -1.029517
  C  -0.360800   1.395923  -0.192067
  C   1.038076   0.703671  -0.002492
  C   1.942454   3.053422   0.434773
  C   1.866798   1.612192   0.931506
  C   0.560972   3.725618   0.335785
  C  -2.610780  -5.039789   0.926608
  C  -1.979579  -6.228162  -1.183123
  O   0.215582  -4.299708  -1.533743
  C   1.362593  -4.189026  -0.781466
  O   2.452585  -4.428239  -1.231822
  H  -0.990943  -2.993047   1.266281
  C   0.329202  -0.612658   2.133356
  H   0.294987  -1.698971  -1.182357
  C   1.806059   0.544190  -1.336008
  H  -0.797570   1.429921   0.825119
  C  -0.047243   3.123628  -2.124550
  H   0.091022   3.619292   1.335394
  C  -1.898685   3.359868  -0.417701
  C  -2.452797   4.653114   0.205990
  O  -1.715737   5.792773   0.305500
  C  -0.516912   5.941837  -0.474835
  C   0.730941   5.281487   0.121952
  C  -0.393477   2.939227  -0.627103
  C   1.885637   5.662758  -0.832401
  C   0.999191   5.929849   1.498028
  O  -3.584090   4.667260   0.628133
  H  -1.700018  -3.550505  -1.328005
  H   0.187909  -4.754113   2.393934
  H   1.594170  -5.574486   1.685288
  H  -0.650193  -6.808133   1.328398
  H   0.338173  -6.533855  -0.109526
  H   2.555626  -1.648109  -0.323134
  H   2.938437  -0.955923   1.262457
  H   1.855866  -2.873879   2.399450
  H   3.019302  -3.460129   1.191337
  H  -2.175392  -1.472273  -0.999965
  H  -2.006039  -0.742478   0.603305
  H  -2.280981   0.986517  -1.161807
  H  -0.886071   0.355950  -2.042817
  H   2.454231   3.090891  -0.541027
  H   2.575105   3.631433   1.130125
  H   1.413901   1.623584   1.937044
  H   2.888522   1.209031   1.043083
  H  -3.090033  -5.989440   1.215944
  H  -2.276442  -4.542896   1.850041
  H  -3.383785  -4.405429   0.459504
  H  -1.210100  -6.365858  -1.957939
  H  -2.875482  -5.790729  -1.656050
  H  -2.256497  -7.218534  -0.785178
  H  -0.500758   0.100892   2.239251
  H  -0.029254  -1.578078   2.518877
  H   1.139225  -0.286175   2.803642
  H   2.835786   0.204595  -1.150847
  H   1.879767   1.492878  -1.877743
  H   1.335202  -0.177747  -2.018954
  H   1.033167   3.111016  -2.320724
  H  -0.434227   4.075997  -2.515087
  H  -0.504190   2.326777  -2.730869
  H  -2.428899   3.279427  -1.383654
  H  -2.387735   2.610264   0.223403
  H  -0.699106   5.604730  -1.506712
  H  -0.356511   7.031561  -0.511485
  H   1.913249   6.758645  -0.956976
  H   2.861630   5.357856  -0.428325
  H   1.771590   5.215386  -1.831547
  H   1.219663   7.004677   1.383471
  H   1.861450   5.463413   1.999762
  H   0.118926   5.830182   2.151834
 80
 Energy -1470.32814166    Point 10   Kin_en 1.054
  C  -1.461030  -5.317222  -0.061258
  C  -0.935333  -3.994004  -0.677548
  C  -0.362862  -3.016106   0.365196
  C   0.959546  -3.755684   0.654208
  C   0.634606  -5.052222   1.444836
  C  -0.275641  -6.014753   0.658495
  C  -0.163160  -1.584940  -0.185739
  C   0.825356  -0.737270   0.680385
  C   2.166124  -1.520891   0.724697
  C   2.041842  -2.922522   1.336028
  C  -1.496484  -0.860044  -0.400871
  C  -1.281227   0.505156  -1.065215
  C  -0.361800   1.400487  -0.213419
  C   1.035665   0.709309   0.000729
  C   1.935397   3.061345   0.438067
  C   1.851413   1.622487   0.941869
  C   0.554873   3.731450   0.317016
  C  -2.621386  -5.034144   0.911644
  C  -1.976905  -6.223976  -1.193186
  O   0.222352  -4.296277  -1.529484
  C   1.363718  -4.183572  -0.768659
  O   2.457110  -4.422132  -1.211029
  H  -1.006344  -2.983904   1.258412
  C   0.302432  -0.601331   2.131406
  H   0.307716  -1.699072  -1.180669
  C   1.824965   0.542687  -1.319768
  H  -0.817841   1.438666   0.795283
  C  -0.007243   3.115626  -2.148404
  H   0.071289   3.627896   1.310362
  C  -1.893960   3.378425  -0.486577
  C  -2.424440   4.610881   0.263506
  O  -1.720363   5.775098   0.318242
  C  -0.540898   5.932976  -0.488817
  C   0.719935   5.286281   0.097398
  C  -0.384594   2.940228  -0.657285
  C   1.867231   5.668383  -0.864463
  C   0.994070   5.942063   1.469087
  O  -3.511371   4.577690   0.789282
  H  -1.695050  -3.547590  -1.339580
  H   0.164387  -4.748179   2.397469
  H   1.576744  -5.567497   1.699946
  H  -0.663750  -6.803082   1.326497
  H   0.334598  -6.528270  -0.104471
  H   2.555983  -1.643073  -0.297893
  H   2.921249  -0.948947   1.290976
  H   1.827364  -2.866976   2.417161
  H   3.003297  -3.453257   1.221264
  H  -2.163955  -1.470501  -1.034127
  H  -2.016866  -0.728857   0.566441
  H  -2.259811   0.984844  -1.226314
  H  -0.844776   0.346554  -2.067130
  H   2.460590   3.093569  -0.530720
  H   2.558357   3.643085   1.138914
  H   1.384010   1.640058   1.940625
  H   2.871029   1.218966   1.070545
  H  -3.101625  -5.983696   1.199724
  H  -2.293179  -4.535280   1.836205
  H  -3.392021  -4.401273   0.438646
  H  -1.202405  -6.362455  -1.962849
  H  -2.869553  -5.786593  -1.672277
  H  -2.256703  -7.213996  -0.796368
  H  -0.530262   0.110877   2.224798
  H  -0.057940  -1.565951   2.517161
  H   1.104263  -0.270054   2.809144
  H   2.851177   0.203770  -1.115346
  H   1.909499   1.487678  -1.865621
  H   1.365734  -0.183015  -2.006596
  H   1.075442   3.078310  -2.326166
  H  -0.363922   4.077858  -2.544052
  H  -0.472380   2.329663  -2.762742
  H  -2.362296   3.443200  -1.486208
  H  -2.447211   2.578396   0.025456
  H  -0.737727   5.582115  -1.513795
  H  -0.392250   7.023803  -0.538331
  H   1.894210   6.764379  -0.988282
  H   2.845482   5.363049  -0.465840
  H   1.748144   5.221526  -1.863022
  H   1.201891   7.018714   1.347910
  H   1.866663   5.487575   1.963737
  H   0.121717   5.835793   2.132017
 80
 Energy -1470.32977481    Point 9   Kin_en 1.053
  C  -1.465053  -5.312347  -0.068734
  C  -0.934715  -3.989965  -0.683058
  C  -0.371560  -3.009634   0.362459
  C   0.948163  -3.748621   0.664789
  C   0.617782  -5.045094   1.453310
  C  -0.284926  -6.009001   0.660144
  C  -0.164427  -1.580418  -0.191174
  C   0.812917  -0.729199   0.684468
  C   2.153374  -1.512767   0.746334
  C   2.022706  -2.914039   1.357153
  C  -1.493718  -0.855763  -0.430195
  C  -1.265259   0.504095  -1.101077
  C  -0.364906   1.405740  -0.235827
  C   1.031112   0.715700   0.002601
  C   1.928742   3.069348   0.437198
  C   1.835074   1.633551   0.949416
  C   0.549659   3.737644   0.296346
  C  -2.631871  -5.028082   0.896084
  C  -1.973301  -6.220303  -1.203124
  O   0.230468  -4.293129  -1.524532
  C   1.365262  -4.177976  -0.754063
  O   2.462539  -4.416112  -1.186938
  H  -1.023151  -2.974437   1.249640
  C   0.272892  -0.588132   2.128380
  H   0.320274  -1.699308  -1.178894
  C   1.839815   0.541295  -1.305385
  H  -0.839779   1.447345   0.764105
  C   0.025291   3.110150  -2.173151
  H   0.054205   3.634973   1.283983
  C  -1.886651   3.401340  -0.550324
  C  -2.390917   4.562670   0.315981
  O  -1.725043   5.752187   0.338821
  C  -0.566259   5.927785  -0.493969
  C   0.709172   5.291960   0.074413
  C  -0.377091   2.942293  -0.687891
  C   1.845885   5.677225  -0.897728
  C   0.993664   5.951743   1.442417
  O  -3.423830   4.475995   0.936260
  H  -1.689092  -3.545417  -1.352390
  H   0.139471  -4.741076   2.401910
  H   1.558487  -5.559017   1.716405
  H  -0.677620  -6.797436   1.325329
  H   0.331705  -6.522160  -0.097899
  H   2.555620  -1.636356  -0.271183
  H   2.901500  -0.940008   1.321081
  H   1.796250  -2.857831   2.435846
  H   2.985720  -3.444255   1.253568
  H  -2.152491  -1.469731  -1.069075
  H  -2.028426  -0.716560   0.528084
  H  -2.240591   0.980742  -1.289189
  H  -0.806634   0.337958  -2.091768
  H   2.466015   3.095296  -0.525209
  H   2.543458   3.654509   1.142363
  H   1.353582   1.658958   1.941327
  H   2.851855   1.228790   1.095169
  H  -3.114880  -5.977199   1.180915
  H  -2.309498  -4.529518   1.822845
  H  -3.398731  -4.394536   0.417886
  H  -1.193632  -6.359691  -1.967418
  H  -2.862708  -5.783435  -1.688668
  H  -2.255804  -7.209884  -0.807127
  H  -0.563871   0.121038   2.208008
  H  -0.087475  -1.552313   2.515308
  H   1.065500  -0.249501   2.813323
  H   2.863411   0.206235  -1.082555
  H   1.931577   1.481726  -1.857420
  H   1.392769  -0.190681  -1.993503
  H   1.108933   3.048302  -2.336279
  H  -0.302340   4.082312  -2.570052
  H  -0.450010   2.336585  -2.795559
  H  -2.291977   3.605729  -1.558919
  H  -2.492160   2.570163  -0.165608
  H  -0.777059   5.572527  -1.515297
  H  -0.431277   7.020111  -0.546812
  H   1.871390   6.773596  -1.018683
  H   2.827714   5.370951  -0.508192
  H   1.718869   5.232801  -1.896123
  H   1.187507   7.030425   1.316673
  H   1.877868   5.508661   1.926351
  H   0.131265   5.836947   2.116733
 80
 Energy -1470.33136120    Point 8   Kin_en 1.052
  C  -1.469293  -5.306871  -0.076519
  C  -0.933525  -3.985691  -0.688844
  C  -0.380926  -3.002290   0.359391
  C   0.935770  -3.740369   0.676912
  C   0.598674  -5.036063   1.463962
  C  -0.295421  -6.001971   0.663620
  C  -0.166279  -1.575323  -0.197475
  C   0.799175  -0.719816   0.687477
  C   2.138930  -1.503054   0.769360
  C   2.001254  -2.903576   1.380500
  C  -1.491433  -0.851484  -0.460155
  C  -1.251247   0.503878  -1.135972
  C  -0.367952   1.411244  -0.259391
  C   1.025794   0.722337   0.001819
  C   1.923635   3.077333   0.430411
  C   1.819816   1.645206   0.952454
  C   0.545997   3.743859   0.273671
  C  -2.644030  -5.020901   0.878104
  C  -1.968005  -6.216738  -1.213581
  O   0.240043  -4.290354  -1.518079
  C   1.367349  -4.171502  -0.737087
  O   2.469081  -4.408241  -1.159336
  H  -1.041388  -2.963728   1.239840
  C   0.240744  -0.572249   2.123489
  H   0.332507  -1.699091  -1.177536
  C   1.852876   0.540042  -1.293919
  H  -0.859350   1.455967   0.732439
  C   0.049092   3.107678  -2.199179
  H   0.041636   3.639813   1.256678
  C  -1.877374   3.422238  -0.604683
  C  -2.353815   4.508451   0.362590
  O  -1.729874   5.723269   0.366831
  C  -0.592516   5.926656  -0.489435
  C   0.698853   5.298533   0.053439
  C  -0.370366   2.944752  -0.718485
  C   1.821000   5.689785  -0.932078
  C   0.999079   5.957593   1.418762
  O  -3.324128   4.361923   1.066852
  H  -1.681526  -3.543351  -1.366698
  H   0.110891  -4.731124   2.407422
  H   1.537243  -5.548714   1.736949
  H  -0.693477  -6.790017   1.326077
  H   0.328600  -6.515334  -0.088203
  H   2.555100  -1.628421  -0.242250
  H   2.878978  -0.929064   1.353283
  H   1.761284  -2.845892   2.456211
  H   2.965954  -3.433137   1.289998
  H  -2.141078  -1.468714  -1.105169
  H  -2.040259  -0.705525   0.489065
  H  -2.223585   0.977432  -1.346530
  H  -0.773832   0.331977  -2.116720
  H   2.469928   3.095968  -0.527134
  H   2.532411   3.666055   1.137458
  H   1.325628   1.679875   1.937823
  H   2.833385   1.238544   1.114480
  H  -3.129518  -5.969507   1.160470
  H  -2.329301  -4.520818   1.806665
  H  -3.406823  -4.388042   0.392545
  H  -1.182000  -6.357283  -1.971146
  H  -2.853391  -5.780749  -1.707195
  H  -2.253682  -7.205724  -0.818344
  H  -0.599364   0.134460   2.188540
  H  -0.120956  -1.535415   2.511711
  H   1.023638  -0.226707   2.816095
  H   2.874002   0.209654  -1.053659
  H   1.950563   1.476006  -1.852187
  H   1.417989  -0.198617  -1.982607
  H   1.132442   3.023645  -2.352955
  H  -0.254046   4.089159  -2.593402
  H  -0.437344   2.346768  -2.828580
  H  -2.228864   3.744806  -1.602246
  H  -2.519298   2.575640  -0.330656
  H  -0.816218   5.577047  -1.510482
  H  -0.473092   7.021146  -0.533638
  H   1.844860   6.786816  -1.047629
  H   2.807752   5.381696  -0.556139
  H   1.682299   5.250209  -1.930833
  H   1.179240   7.038497   1.291359
  H   1.896238   5.524140   1.887044
  H   0.149321   5.832648   2.106975
 80
 Energy -1470.33275451    Point 7   Kin_en 1.051
  C  -1.473856  -5.300034  -0.085275
  C  -0.931350  -3.980627  -0.695399
  C  -0.391361  -2.993362   0.355797
  C   0.921461  -3.730093   0.691559
  C   0.575896  -5.024202   1.477638
  C  -0.308079  -5.992842   0.669434
  C  -0.168349  -1.569301  -0.205072
  C   0.785077  -0.709041   0.688554
  C   2.123354  -1.491994   0.793408
  C   1.977112  -2.890702   1.406764
  C  -1.489105  -0.846575  -0.491918
  C  -1.237424   0.504784  -1.171341
  C  -0.368750   1.416240  -0.284594
  C   1.021936   0.728593  -0.003001
  C   1.921659   3.084762   0.416297
  C   1.808856   1.656598   0.948702
  C   0.544892   3.749270   0.249632
  C  -2.658653  -5.011442   0.856081
  C  -1.960501  -6.212931  -1.225129
  O   0.252106  -4.287359  -1.509746
  C   1.370249  -4.164395  -0.716105
  O   2.477043  -4.400469  -1.125185
  H  -1.062360  -2.950696   1.228059
  C   0.206964  -0.552433   2.115706
  H   0.344436  -1.698919  -1.177077
  C   1.863677   0.537627  -1.288260
  H  -0.874437   1.463102   0.699810
  C   0.062995   3.108879  -2.226002
  H   0.035872   3.641258   1.229879
  C  -1.868159   3.435853  -0.645541
  C  -2.315419   4.449574   0.404956
  O  -1.734537   5.688028   0.402641
  C  -0.619551   5.927821  -0.474302
  C   0.689059   5.305123   0.035314
  C  -0.364306   2.947001  -0.748086
  C   1.791763   5.706552  -0.967055
  C   1.010381   5.959186   1.398588
  O  -3.217465   4.240271   1.180217
  H  -1.671534  -3.540918  -1.383444
  H   0.076854  -4.717284   2.414548
  H   1.511588  -5.535401   1.762975
  H  -0.713029  -6.779628   1.329213
  H   0.324752  -6.507437  -0.074140
  H   2.555003  -1.620226  -0.211342
  H   2.854234  -0.916049   1.386856
  H   1.722049  -2.829696   2.478844
  H   2.943106  -3.420295   1.331536
  H  -2.128804  -1.467118  -1.143622
  H  -2.052545  -0.694815   0.447732
  H  -2.206376   0.976602  -1.400851
  H  -0.743841   0.328009  -2.143120
  H   2.473468   3.095778  -0.538310
  H   2.527511   3.676522   1.123096
  H   1.305009   1.700848   1.928899
  H   2.819351   1.247919   1.123742
  H  -3.148861  -5.959101   1.133447
  H  -2.353190  -4.511862   1.787949
  H  -3.415065  -4.377564   0.361914
  H  -1.166576  -6.355310  -1.974079
  H  -2.840749  -5.778357  -1.729084
  H  -2.250147  -7.200946  -0.830370
  H  -0.636662   0.151354   2.164451
  H  -0.155927  -1.514158   2.506507
  H   0.979393  -0.198495   2.815811
  H   2.883711   0.214397  -1.033761
  H   1.962780   1.468964  -1.854167
  H   1.440046  -0.209443  -1.974794
  H   1.145387   3.008032  -2.376673
  H  -0.223224   4.097716  -2.615003
  H  -0.433988   2.359072  -2.860603
  H  -2.182240   3.849308  -1.621064
  H  -2.531342   2.582795  -0.457196
  H  -0.855557   5.594422  -1.498487
  H  -0.516484   7.024501  -0.498720
  H   1.813317   6.804616  -1.072997
  H   2.785083   5.395267  -0.610908
  H   1.636361   5.275727  -1.966912
  H   1.174857   7.042743   1.272899
  H   1.922217   5.535145   1.846299
  H   0.176436   5.820796   2.103420
 80
 Energy -1470.33383564    Point 6   Kin_en 1.050
  C  -1.478875  -5.291429  -0.095362
  C  -0.927438  -3.974668  -0.702898
  C  -0.402464  -2.982715   0.351602
  C   0.905043  -3.718208   0.709722
  C   0.547727  -5.008935   1.496077
  C  -0.324073  -5.981073   0.678826
  C  -0.169821  -1.562439  -0.214369
  C   0.772342  -0.697036   0.686515
  C   2.107729  -1.480538   0.817127
  C   1.950295  -2.875576   1.436258
  C  -1.485837  -0.841001  -0.525375
  C  -1.223457   0.506902  -1.207218
  C  -0.366537   1.420601  -0.311411
  C   1.020758   0.733947  -0.014044
  C   1.924646   3.091313   0.391745
  C   1.806364   1.666765   0.934192
  C   0.547201   3.753033   0.224527
  C  -2.676909  -4.998761   0.827794
  C  -1.949267  -6.208774  -1.238471
  O   0.267728  -4.284815  -1.498658
  C   1.374279  -4.158024  -0.689445
  O   2.487009  -4.394766  -1.081685
  H  -1.085916  -2.934936   1.213905
  C   0.174100  -0.528262   2.104001
  H   0.356607  -1.699230  -1.177956
  C   1.871041   0.532070  -1.292214
  H  -0.883736   1.468069   0.666773
  C   0.067722   3.113726  -2.252876
  H   0.039308   3.636778   1.204392
  C  -1.860427   3.442059  -0.672294
  C  -2.278444   4.389001   0.445810
  O  -1.738381   5.647773   0.448255
  C  -0.647570   5.928773  -0.447893
  C   0.679490   5.311127   0.021408
  C  -0.358960   2.949235  -0.775845
  C   1.757461   5.728019  -1.000500
  C   1.026681   5.955111   1.383415
  O  -3.112930   4.117939   1.275488
  H  -1.657440  -3.537849  -1.403527
  H   0.034450  -4.698070   2.423944
  H   1.478958  -5.518887   1.797743
  H  -0.738404  -6.765380   1.335730
  H   0.319618  -6.498367  -0.053462
  H   2.555721  -1.614198  -0.179808
  H   2.829157  -0.901925   1.419407
  H   1.678512  -2.807812   2.503800
  H   2.916785  -3.406533   1.379436
  H  -2.115364  -1.464917  -1.183725
  H  -2.063732  -0.684214   0.404601
  H  -2.188860   0.978340  -1.452237
  H  -0.716458   0.326412  -2.171296
  H   2.475932   3.095895  -0.563285
  H   2.531579   3.685713   1.095112
  H   1.299201   1.720106   1.912296
  H   2.814835   1.256121   1.115711
  H  -3.171847  -5.945077   1.101362
  H  -2.384476  -4.496099   1.762178
  H  -3.425592  -4.366001   0.320586
  H  -1.144702  -6.354114  -1.975398
  H  -2.822150  -5.776078  -1.756678
  H  -2.244608  -7.195225  -0.844050
  H  -0.671434   0.174056   2.135467
  H  -0.192367  -1.487282   2.498152
  H   0.936195  -0.166806   2.811577
  H   2.890715   0.215313  -1.027897
  H   1.969982   1.458218  -1.867149
  H   1.455186  -0.223511  -1.973931
  H   1.148961   3.001869  -2.405317
  H  -0.209197   4.108196  -2.634833
  H  -0.438431   2.372759  -2.890628
  H  -2.154163   3.922445  -1.622330
  H  -2.533953   2.585908  -0.545866
  H  -0.898269   5.616794  -1.475559
  H  -0.561485   7.027160  -0.446542
  H   1.775996   6.827434  -1.092785
  H   2.758778   5.413106  -0.670368
  H   1.581075   5.309753  -2.002021
  H   1.173254   7.041948   1.263977
  H   1.955177   5.540231   1.804334
  H   0.212473   5.798642   2.107273
 80
 Energy -1470.33464561    Point 5   Kin_en 1.046
  C  -1.484450  -5.281420  -0.105133
  C  -0.921377  -3.969076  -0.710712
  C  -0.413426  -2.970789   0.346482
  C   0.887341  -3.704789   0.731059
  C   0.514705  -4.989349   1.520313
  C  -0.344361  -5.966217   0.694936
  C  -0.169823  -1.555481  -0.226795
  C   0.761829  -0.684320   0.679470
  C   2.093304  -1.468651   0.837903
  C   1.922915  -2.858113   1.466747
  C  -1.480720  -0.835525  -0.562042
  C  -1.209308   0.510205  -1.244310
  C  -0.362002   1.424549  -0.340011
  C   1.022459   0.738077  -0.032600
  C   1.932423   3.096310   0.355981
  C   1.813370   1.674824   0.907487
  C   0.552752   3.754851   0.199699
  C  -2.699724  -4.982029   0.792924
  C  -1.933661  -6.206079  -1.250959
  O   0.286875  -4.285344  -1.484062
  C   1.379504  -4.154075  -0.657070
  O   2.498823  -4.392501  -1.029055
  H  -1.111032  -2.916437   1.197025
  C   0.144103  -0.500941   2.086939
  H   0.370491  -1.704307  -1.180969
  C   1.874712   0.523281  -1.307631
  H  -0.887524   1.470192   0.633461
  C   0.065533   3.122893  -2.278676
  H   0.052171   3.626325   1.181752
  C  -1.854695   3.444243  -0.687701
  C  -2.246376   4.329466   0.485880
  O  -1.739388   5.603177   0.505797
  C  -0.675113   5.928567  -0.408196
  C   0.670884   5.315763   0.013676
  C  -0.354758   2.952203  -0.801297
  C   1.718592   5.754344  -1.029796
  C   1.048593   5.944482   1.374929
  O  -3.022271   4.001250   1.350925
  H  -1.638722  -3.535792  -1.426458
  H  -0.013905  -4.671175   2.437030
  H   1.439706  -5.498682   1.841573
  H  -0.771227  -6.745122   1.350235
  H   0.311532  -6.489776  -0.021929
  H   2.557718  -1.610641  -0.150493
  H   2.805409  -0.886382   1.447611
  H   1.635423  -2.780375   2.529436
  H   2.888917  -3.391685   1.428893
  H  -2.099536  -1.462580  -1.227529
  H  -2.073036  -0.675474   0.358252
  H  -2.171609   0.981643  -1.501587
  H  -0.691320   0.327727  -2.202014
  H   2.475505   3.095533  -0.603890
  H   2.546222   3.692472   1.051608
  H   1.310451   1.735880   1.887395
  H   2.821300   1.262339   1.087222
  H  -3.199730  -5.926280   1.064353
  H  -2.425041  -4.472051   1.728733
  H  -3.438634  -4.353321   0.266721
  H  -1.115344  -6.356767  -1.971478
  H  -2.796107  -5.776109  -1.788534
  H  -2.237467  -7.189667  -0.855782
  H  -0.704246   0.198275   2.100443
  H  -0.223996  -1.457006   2.486791
  H   0.895704  -0.129093   2.800361
  H   2.894843   0.211446  -1.038657
  H   1.971359   1.444082  -1.892340
  H   1.461982  -0.240308  -1.982015
  H   1.146204   3.008159  -2.435184
  H  -0.210690   4.120324  -2.653868
  H  -0.445550   2.386908  -2.918315
  H  -2.138713   3.977646  -1.611216
  H  -2.532956   2.586161  -0.609430
  H  -0.943571   5.642922  -1.439297
  H  -0.605078   7.027556  -0.376330
  H   1.736462   6.855515  -1.098069
  H   2.728483   5.430454  -0.735887
  H   1.512363   5.358600  -2.034628
  H   1.176891   7.034756   1.266567
  H   1.994183   5.537623   1.764134
  H   0.257116   5.766799   2.118963
 80
 Energy -1470.33514508    Point 4   Kin_en 1.048
  C  -1.489778  -5.269998  -0.113240
  C  -0.912073  -3.964792  -0.719849
  C  -0.422057  -2.957865   0.337727
  C   0.869887  -3.690142   0.753340
  C   0.477509  -4.963725   1.550639
  C  -0.368670  -5.947517   0.719736
  C  -0.168589  -1.548343  -0.243484
  C   0.754878  -0.671340   0.665598
  C   2.081571  -1.457241   0.850459
  C   1.896680  -2.837913   1.494913
  C  -1.475756  -0.829533  -0.597107
  C  -1.198758   0.515018  -1.279635
  C  -0.356444   1.429128  -0.370176
  C   1.026199   0.741732  -0.059578
  C   1.943600   3.100341   0.312147
  C   1.829008   1.680173   0.868761
  C   0.560375   3.754983   0.176106
  C  -2.725134  -4.959530   0.753009
  C  -1.913666  -6.206689  -1.259018
  O   0.309977  -4.291093  -1.466942
  C   1.386495  -4.156200  -0.619966
  O   2.511994  -4.403206  -0.966918
  H  -1.134863  -2.895060   1.175056
  C   0.121235  -0.471979   2.064256
  H   0.380949  -1.703291  -1.190986
  C   1.874181   0.513331  -1.335444
  H  -0.886048   1.471750   0.600781
  C   0.057168   3.136720  -2.303734
  H   0.071107   3.609426   1.161382
  C  -1.850385   3.446139  -0.696742
  C  -2.221420   4.272990   0.522880
  O  -1.737457   5.555840   0.572459
  C  -0.699943   5.928071  -0.355316
  C   0.663596   5.319139   0.014497
  C  -0.351735   2.957007  -0.825081
  C   1.678345   5.784476  -1.049227
  C   1.074266   5.926403   1.376181
  O  -2.953462   3.893811   1.405149
  H  -1.614304  -3.536308  -1.453271
  H  -0.067945  -4.632747   2.452828
  H   1.393931  -5.472731   1.896064
  H  -0.811716  -6.716788   1.375675
  H   0.300228  -6.482233   0.023402
  H   2.559316  -1.612160  -0.129835
  H   2.786738  -0.869916   1.463224
  H   1.592845  -2.744726   2.551713
  H   2.860982  -3.375565   1.479323
  H  -2.086175  -1.459453  -1.267713
  H  -2.078802  -0.667269   0.315813
  H  -2.159384   0.986638  -1.543036
  H  -0.675357   0.332230  -2.234187
  H   2.472914   3.098084  -0.655434
  H   2.567359   3.696812   0.998290
  H   1.338316   1.745138   1.854646
  H   2.838053   1.265907   1.037393
  H  -3.230283  -5.900355   1.026772
  H  -2.472150  -4.435352   1.687134
  H  -3.452417  -4.339277   0.201223
  H  -1.078912  -6.366643  -1.958315
  H  -2.762386  -5.781314  -1.821529
  H  -2.228589  -7.185307  -0.860207
  H  -0.723090   0.231800   2.063956
  H  -0.256592  -1.422754   2.467615
  H   0.866864  -0.098627   2.783274
  H   2.891998   0.193456  -1.066892
  H   1.977331   1.432247  -1.923032
  H   1.454438  -0.248434  -2.007183
  H   1.135586   3.012664  -2.470267
  H  -0.213552   4.140265  -2.666694
  H  -0.466414   2.410937  -2.944988
  H  -2.129925   4.024212  -1.593773
  H  -2.530936   2.587133  -0.659980
  H  -0.987762   5.673721  -1.389479
  H  -0.644074   7.026224  -0.287478
  H   1.693961   6.886991  -1.091655
  H   2.696738   5.454228  -0.793804
  H   1.442176   5.412586  -2.056509
  H   1.185781   7.020027   1.284455
  H   2.035861   5.525219   1.730155
  H   0.307176   5.724808   2.139500
 80
 Energy -1470.33542050    Point 3   Kin_en 0.983
  C  -1.495832  -5.256753  -0.117003
  C  -0.900299  -3.962599  -0.729182
  C  -0.427416  -2.944275   0.325392
  C   0.854184  -3.674861   0.774666
  C   0.438642  -4.932572   1.585266
  C  -0.397057  -5.924933   0.753183
  C  -0.164176  -1.541479  -0.266112
  C   0.752370  -0.658699   0.643994
  C   2.074251  -1.446281   0.852745
  C   1.875608  -2.816266   1.516517
  C  -1.468419  -0.824330  -0.635354
  C  -1.190585   0.521762  -1.315030
  C  -0.350357   1.434391  -0.401762
  C   1.031986   0.745623  -0.093678
  C   1.955305   3.104885   0.265361
  C   1.850239   1.683736   0.821589
  C   0.567548   3.754204   0.155813
  C  -2.751132  -4.929266   0.713535
  C  -1.894822  -6.209953  -1.258207
  O   0.334639  -4.304563  -1.447493
  C   1.394040  -4.166736  -0.580276
  O   2.524349  -4.429811  -0.898751
  H  -1.155442  -2.871101   1.148728
  C   0.105690  -0.444908   2.034991
  H   0.393937  -1.706125  -1.206780
  C   1.870938   0.505270  -1.373418
  H  -0.880697   1.472076   0.568471
  C   0.047328   3.155227  -2.326546
  H   0.091389   3.587510   1.144065
  C  -1.847540   3.448943  -0.702800
  C  -2.202916   4.220792   0.555295
  O  -1.735868   5.508815   0.639948
  C  -0.722219   5.927151  -0.295167
  C   0.655840   5.321646   0.024852
  C  -0.349954   2.963792  -0.846929
  C   1.639693   5.817770  -1.053385
  C   1.095812   5.902399   1.389164
  O  -2.901097   3.796193   1.444302
  H  -1.585638  -3.540458  -1.482059
  H  -0.122313  -4.583535   2.470997
  H   1.344612  -5.441847   1.956861
  H  -0.859241  -6.679772   1.412682
  H   0.283499  -6.476232   0.081464
  H   2.561886  -1.616832  -0.120329
  H   2.775042  -0.852948   1.464615
  H   1.560445  -2.705105   2.568104
  H   2.837219  -3.358881   1.519934
  H  -2.070670  -1.456456  -1.311365
  H  -2.080881  -0.663322   0.271497
  H  -2.151714   0.992849  -1.577775
  H  -0.666873   0.342751  -2.269961
  H   2.467841   3.106389  -0.711254
  H   2.589882   3.700120   0.942334
  H   1.377377   1.748188   1.816193
  H   2.861727   1.268587   0.971944
  H  -3.264750  -5.864321   0.991277
  H  -2.519967  -4.389149   1.644231
  H  -3.463436  -4.317592   0.133354
  H  -1.043924  -6.383058  -1.934487
  H  -2.728294  -5.790894  -1.847620
  H  -2.222521  -7.181333  -0.852105
  H  -0.740598   0.256009   2.021383
  H  -0.273413  -1.392424   2.444667
  H   0.844263  -0.062829   2.756721
  H   2.883138   0.164133  -1.109724
  H   1.990043   1.426320  -1.955699
  H   1.434907  -0.243914  -2.048573
  H   1.123340   3.022751  -2.503335
  H  -0.218598   4.164607  -2.676795
  H  -0.488091   2.440080  -2.970072
  H  -2.123970   4.066186  -1.573828
  H  -2.529615   2.590387  -0.703554
  H  -1.027501   5.706619  -1.332150
  H  -0.677739   7.022761  -0.188941
  H   1.651446   6.921053  -1.068274
  H   2.665509   5.484030  -0.834270
  H   1.377224   5.470679  -2.063010
  H   1.192182   6.999056   1.319373
  H   2.070885   5.505617   1.709367
  H   0.351175   5.674435   2.167293
 80
 Energy -1470.33552646    Point 2   Kin_en 0.279
  C  -1.508603  -5.239516  -0.102637
  C  -0.896666  -3.960556  -0.730266
  C  -0.427719  -2.929243   0.313270
  C   0.844965  -3.660442   0.786478
  C   0.410771  -4.899409   1.616037
  C  -0.425691  -5.899555   0.793703
  C  -0.153792  -1.534967  -0.292545
  C   0.758880  -0.647683   0.617091
  C   2.077254  -1.437158   0.839256
  C   1.869386  -2.797764   1.519819
  C  -1.453819  -0.817960  -0.678014
  C  -1.172570   0.528554  -1.355990
  C  -0.338214   1.440067  -0.436063
  C   1.044065   0.751261  -0.127688
  C   1.966056   3.112461   0.231198
  C   1.871761   1.688000   0.780882
  C   0.572953   3.753253   0.143438
  C  -2.772605  -4.888446   0.704811
  C  -1.899289  -6.210833  -1.231416
  O   0.342686  -4.324092  -1.429848
  C   1.393750  -4.181745  -0.553648
  O   2.524771  -4.462241  -0.854313
  H  -1.163473  -2.841432   1.128190
  C   0.104940  -0.424183   2.003551
  H   0.411568  -1.711529  -1.226716
  C   1.878423   0.504082  -1.409259
  H  -0.872330   1.470907   0.531961
  C   0.055654   3.178975  -2.346430
  H   0.104295   3.560718   1.130543
  C  -1.839603   3.451006  -0.721701
  C  -2.196345   4.167025   0.567568
  O  -1.743360   5.456416   0.699111
  C  -0.745179   5.923655  -0.230334
  C   0.644350   5.323746   0.050203
  C  -0.341559   2.972036  -0.869410
  C   1.605335   5.856303  -1.030833
  C   1.100452   5.873844   1.422077
  O  -2.878846   3.696533   1.445729
  H  -1.571046  -3.545808  -1.497048
  H  -0.155383  -4.529213   2.489748
  H   1.308389  -5.410105   2.005495
  H  -0.902243  -6.637173   1.462396
  H   0.257315  -6.470158   0.140828
  H   2.567658  -1.620585  -0.130300
  H   2.778128  -0.839579   1.446796
  H   1.553251  -2.670650   2.569184
  H   2.827413  -3.346515   1.532195
  H  -2.048551  -1.451996  -1.358931
  H  -2.075654  -0.656047   0.222331
  H  -2.133086   0.998559  -1.622818
  H  -0.644145   0.351901  -2.308601
  H   2.466059   3.122459  -0.751912
  H   2.606783   3.705714   0.903900
  H   1.412471   1.747447   1.782057
  H   2.885784   1.273906   0.916014
  H  -3.296502  -5.814750   0.992480
  H  -2.550323  -4.332998   1.628629
  H  -3.472670  -4.282654   0.103925
  H  -1.040875  -6.402021  -1.893158
  H  -2.722061  -5.797069  -1.839325
  H  -2.239046  -7.172337  -0.811940
  H  -0.742455   0.274930   1.981759
  H  -0.274518  -1.369115   2.418487
  H   0.839534  -0.036098   2.726126
  H   2.888315   0.154460  -1.147626
  H   2.003588   1.425415  -1.990591
  H   1.435453  -0.240729  -2.084530
  H   1.131572   3.046033  -2.524581
  H  -0.208826   4.192726  -2.685232
  H  -0.481331   2.471662  -2.997439
  H  -2.106893   4.104349  -1.568486
  H  -2.521526   2.593466  -0.765011
  H  -1.058978   5.739817  -1.271877
  H  -0.713043   7.014800  -0.082080
  H   1.609664   6.959662  -1.016685
  H   2.636989   5.523647  -0.838757
  H   1.327315   5.533937  -2.044555
  H   1.183773   6.972924   1.379121
  H   2.084643   5.480219   1.717109
  H   0.370676   5.617458   2.205540
 80
 Energy -1470.33554217    Point 1
  C  -1.513373  -5.233886  -0.095858
  C  -0.897376  -3.959561  -0.728859
  C  -0.427000  -2.924891   0.310742
  C   0.843861  -3.656832   0.787860
  C   0.405562  -4.890747   1.622915
  C  -0.432943  -5.892532   0.804638
  C  -0.150003  -1.533216  -0.299288
  C   0.761744  -0.644720   0.610127
  C   2.079348  -1.434526   0.835480
  C   1.870023  -2.793761   1.518478
  C  -1.448606  -0.816206  -0.689643
  C  -1.166210   0.530322  -1.367195
  C  -0.333805   1.441704  -0.445364
  C   1.048517   0.753008  -0.136406
  C   1.969198   3.115366   0.223522
  C   1.878838   1.689492   0.770296
  C   0.574232   3.752830   0.140983
  C  -2.777270  -4.875569   0.708596
  C  -1.905612  -6.209601  -1.220268
  O   0.341720  -4.329585  -1.425647
  C   1.392347  -4.185549  -0.549348
  O   2.522961  -4.470202  -0.847683
  H  -1.163205  -2.832540   1.124743
  C   0.105829  -0.419005   1.995263
  H   0.417367  -1.713172  -1.231594
  C   1.881949   0.504021  -1.418263
  H  -0.869317   1.470860   0.521902
  C   0.061660   3.184977  -2.351824
  H   0.106748   3.552142   1.126994
  C  -1.836173   3.451735  -0.730290
  C  -2.196208   4.151201   0.566749
  O  -1.747499   5.440653   0.712985
  C  -0.751916   5.922161  -0.212091
  C   0.640319   5.324122   0.059529
  C  -0.337841   2.974152  -0.876049
  C   1.596193   5.867938  -1.020319
  C   1.098491   5.864801   1.434511
  O  -2.876202   3.667887   1.439875
  H  -1.569704  -3.546310  -1.498232
  H  -0.160962  -4.514700   2.493904
  H   1.301310  -5.401939   2.016013
  H  -0.912099  -6.625560   1.476520
  H   0.249004  -6.468196   0.155100
  H   2.570756  -1.619887  -0.133225
  H   2.779830  -0.836245   1.442789
  H   1.554944  -2.664422   2.567881
  H   2.827393  -3.343665   1.531028
  H  -2.041045  -1.450742  -1.372082
  H  -2.073388  -0.653911   0.208585
  H  -2.126579   0.999865  -1.635264
  H  -0.636561   0.354316  -2.319204
  H   2.466813   3.128789  -0.760792
  H   2.610385   3.708035   0.896240
  H   1.424370   1.746929   1.773686
  H   2.893787   1.276001   0.900156
  H  -3.304038  -5.799067   1.000032
  H  -2.554520  -4.316369   1.630019
  H  -3.475007  -4.270706   0.104082
  H  -1.047065  -6.406414  -1.880188
  H  -2.726609  -5.796523  -1.831038
  H  -2.248486  -7.168094  -0.796463
  H  -0.746059   0.274499   1.970276
  H  -0.267597  -1.364509   2.414241
  H   0.837658  -0.023265   2.716448
  H   2.890738   0.150922  -1.157049
  H   2.009894   1.425718  -1.998590
  H   1.436555  -0.238647  -2.094263
  H   1.137753   3.052015  -2.528834
  H  -0.202070   4.199792  -2.688120
  H  -0.474703   2.479518  -3.005392
  H  -2.098114   4.116009  -1.570040
  H  -2.518256   2.595218  -0.788060
  H  -1.066065   5.749381  -1.255399
  H  -0.723464   7.011624  -0.051275
  H   1.598611   6.971113  -0.996725
  H   2.629162   5.535258  -0.835396
  H   1.314408   5.553695  -2.035609
  H   1.177949   6.964457   1.400044
  H   2.084724   5.472245   1.723992
  H   0.371581   5.599687   2.217769
