13
* (null), Energy   -1000.0000000
C    -1.640012    0.236814   -0.090605    0.020412    0.124524   -0.059278
C    -0.796791    1.232616   -0.573642   -0.069950    0.020072   -0.008594
C     0.578356    1.085273   -0.521946    0.171508   -0.038532    0.016002
C     1.129092   -0.073363    0.019881    0.021630   -0.126224    0.059526
C     0.295077   -1.073200    0.504709   -0.162442    0.010570   -0.002866
C    -1.084180   -0.912716    0.446839    0.055404   -0.010762    0.004368
O     2.469658   -0.175262    0.050496   -0.095230   -0.040112    0.020266
H    -2.713735    0.358622   -0.134174   -0.053410   -0.430288    0.204604
H    -1.216575    2.136425   -0.996430   -0.288188   -0.054290    0.029602
H     1.242244    1.852854   -0.894463   -0.765260    0.603524   -0.275984
H     0.721028   -1.975998    0.926937    0.831308    0.397688   -0.199492
H    -1.724129   -1.698334    0.827588    0.198952   -0.102116    0.045806
H     2.739967   -0.993730    0.434810    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.637692    0.250966   -0.097342    0.020412    0.124524   -0.059278
C    -0.804740    1.234897   -0.574619   -0.069950    0.020072   -0.008594
C     0.597847    1.080894   -0.520127    0.171508   -0.038532    0.016002
C     1.131550   -0.087708    0.026646    0.021630   -0.126224    0.059526
C     0.276616   -1.071999    0.504383   -0.162442    0.010570   -0.002866
C    -1.077884   -0.913939    0.447335    0.055404   -0.010762    0.004368
O     2.458836   -0.179821    0.052799   -0.095230   -0.040112    0.020266
H    -2.719805    0.309722   -0.110922   -0.053410   -0.430288    0.204604
H    -1.249326    2.130255   -0.993066   -0.288188   -0.054290    0.029602
H     1.155276    1.921441   -0.925827   -0.765260    0.603524   -0.275984
H     0.815502   -1.930803    0.904266    0.831308    0.397688   -0.199492
H    -1.701519   -1.709939    0.832794    0.198952   -0.102116    0.045806
H     2.870936   -0.940925    0.408068    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.635624    0.263583   -0.103348    0.020412    0.124524   -0.059278
C    -0.811828    1.236931   -0.575489   -0.069950    0.020072   -0.008594
C     0.615226    1.076990   -0.518506    0.171508   -0.038532    0.016002
C     1.133742   -0.100498    0.032678    0.021630   -0.126224    0.059526
C     0.260156   -1.070928    0.504093   -0.162442    0.010570   -0.002866
C    -1.072270   -0.915030    0.447778    0.055404   -0.010762    0.004368
O     2.449186   -0.183885    0.054853   -0.095230   -0.040112    0.020266
H    -2.725217    0.266121   -0.090189   -0.053410   -0.430288    0.204604
H    -1.278528    2.124754   -0.990066   -0.288188   -0.054290    0.029602
H     1.077733    1.982596   -0.953793   -0.765260    0.603524   -0.275984
H     0.899738   -1.890505    0.884051    0.831308    0.397688   -0.199492
H    -1.681359   -1.720286    0.837435    0.198952   -0.102116    0.045806
H     2.987712   -0.893843    0.384224    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.634031    0.273301   -0.107974    0.020412    0.124524   -0.059278
C    -0.817287    1.238497   -0.576160   -0.069950    0.020072   -0.008594
C     0.628609    1.073983   -0.517257    0.171508   -0.038532    0.016002
C     1.135430   -0.110348    0.037323    0.021630   -0.126224    0.059526
C     0.247480   -1.070103    0.503869   -0.162442    0.010570   -0.002866
C    -1.067946   -0.915869    0.448119    0.055404   -0.010762    0.004368
O     2.441755   -0.187015    0.056434   -0.095230   -0.040112    0.020266
H    -2.729385    0.232544   -0.074223   -0.053410   -0.430288    0.204604
H    -1.301016    2.120518   -0.987756   -0.288188   -0.054290    0.029602
H     1.018016    2.029692   -0.975329   -0.765260    0.603524   -0.275984
H     0.964608   -1.859472    0.868484    0.831308    0.397688   -0.199492
H    -1.665834   -1.728255    0.841010    0.198952   -0.102116    0.045806
H     3.077641   -0.857584    0.365861    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.633086    0.279064   -0.110717    0.020412    0.124524   -0.059278
C    -0.820524    1.239426   -0.576558   -0.069950    0.020072   -0.008594
C     0.636547    1.072199   -0.516517    0.171508   -0.038532    0.016002
C     1.136431   -0.116190    0.040078    0.021630   -0.126224    0.059526
C     0.239962   -1.069614    0.503737   -0.162442    0.010570   -0.002866
C    -1.065382   -0.916367    0.448321    0.055404   -0.010762    0.004368
O     2.437347   -0.188872    0.057372   -0.095230   -0.040112    0.020266
H    -2.731856    0.212630   -0.064754   -0.053410   -0.430288    0.204604
H    -1.314354    2.118005   -0.986386   -0.288188   -0.054290    0.029602
H     0.982599    2.057624   -0.988102   -0.765260    0.603524   -0.275984
H     1.003083   -1.841066    0.859251    0.831308    0.397688   -0.199492
H    -1.656627   -1.732981    0.843130    0.198952   -0.102116    0.045806
H     3.130978   -0.836080    0.354970    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.632892    0.280249   -0.111281    0.020412    0.124524   -0.059278
C    -0.821190    1.239617   -0.576640   -0.069950    0.020072   -0.008594
C     0.638179    1.071833   -0.516364    0.171508   -0.038532    0.016002
C     1.136637   -0.117391    0.040644    0.021630   -0.126224    0.059526
C     0.238416   -1.069513    0.503709   -0.162442    0.010570   -0.002866
C    -1.064855   -0.916470    0.448363    0.055404   -0.010762    0.004368
O     2.436441   -0.189253    0.057565   -0.095230   -0.040112    0.020266
H    -2.732365    0.208536   -0.062807   -0.053410   -0.430288    0.204604
H    -1.317096    2.117488   -0.986105   -0.288188   -0.054290    0.029602
H     0.975318    2.063366   -0.990727   -0.765260    0.603524   -0.275984
H     1.010992   -1.837283    0.857353    0.831308    0.397688   -0.199492
H    -1.654734   -1.733953    0.843565    0.198952   -0.102116    0.045806
H     3.141943   -0.831659    0.352731    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.633470    0.276727   -0.109605    0.020412    0.124524   -0.059278
C    -0.819211    1.239049   -0.576397   -0.069950    0.020072   -0.008594
C     0.633328    1.072923   -0.516817    0.171508   -0.038532    0.016002
C     1.136025   -0.113820    0.038960    0.021630   -0.126224    0.059526
C     0.243011   -1.069812    0.503790   -0.162442    0.010570   -0.002866
C    -1.066422   -0.916165    0.448239    0.055404   -0.010762    0.004368
O     2.439135   -0.188119    0.056992   -0.095230   -0.040112    0.020266
H    -2.730854    0.220706   -0.068594   -0.053410   -0.430288    0.204604
H    -1.308945    2.119024   -0.986942   -0.288188   -0.054290    0.029602
H     0.996962    2.046296   -0.982922   -0.765260    0.603524   -0.275984
H     0.987479   -1.848531    0.862996    0.831308    0.397688   -0.199492
H    -1.660361   -1.731064    0.842270    0.198952   -0.102116    0.045806
H     3.109348   -0.844801    0.359387    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.634756    0.268879   -0.105869    0.020412    0.124524   -0.059278
C    -0.814803    1.237785   -0.575855   -0.069950    0.020072   -0.008594
C     0.622520    1.075351   -0.517825    0.171508   -0.038532    0.016002
C     1.134662   -0.105866    0.035209    0.021630   -0.126224    0.059526
C     0.253248   -1.070478    0.503971   -0.162442    0.010570   -0.002866
C    -1.069913   -0.915487    0.447964    0.055404   -0.010762    0.004368
O     2.445136   -0.185591    0.055715   -0.095230   -0.040112    0.020266
H    -2.727488    0.247821   -0.081488   -0.053410   -0.430288    0.204604
H    -1.290784    2.122445   -0.988807   -0.288188   -0.054290    0.029602
H     1.045187    2.008263   -0.965530   -0.765260    0.603524   -0.275984
H     0.935093   -1.873592    0.875567    0.831308    0.397688   -0.199492
H    -1.672898   -1.724629    0.839383    0.198952   -0.102116    0.045806
H     3.036724   -0.874082    0.374216    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.636612    0.257557   -0.100480    0.020412    0.124524   -0.059278
C    -0.808443    1.235960   -0.575074   -0.069950    0.020072   -0.008594
C     0.606926    1.078854   -0.519280    0.171508   -0.038532    0.016002
C     1.132695   -0.094390    0.029797    0.021630   -0.126224    0.059526
C     0.268017   -1.071439    0.504232   -0.162442    0.010570   -0.002866
C    -1.074951   -0.914509    0.447567    0.055404   -0.010762    0.004368
O     2.453794   -0.181944    0.053872   -0.095230   -0.040112    0.020266
H    -2.722632    0.286944   -0.100091   -0.053410   -0.430288    0.204604
H    -1.264582    2.127381   -0.991499   -0.288188   -0.054290    0.029602
H     1.114766    1.953390   -0.940437   -0.765260    0.603524   -0.275984
H     0.859509   -1.909751    0.893705    0.831308    0.397688   -0.199492
H    -1.690987   -1.715345    0.835218    0.198952   -0.102116    0.045806
H     2.931942   -0.916328    0.395611    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.638836    0.243988   -0.094020    0.020412    0.124524   -0.059278
C    -0.800821    1.233772   -0.574137   -0.069950    0.020072   -0.008594
C     0.588236    1.083053   -0.521024    0.171508   -0.038532    0.016002
C     1.130338   -0.080635    0.023310    0.021630   -0.126224    0.059526
C     0.285719   -1.072591    0.504544   -0.162442    0.010570   -0.002866
C    -1.080988   -0.913336    0.447091    0.055404   -0.010762    0.004368
O     2.464172   -0.177573    0.051663   -0.095230   -0.040112    0.020266
H    -2.716812    0.333834   -0.122387   -0.053410   -0.430288    0.204604
H    -1.233177    2.133297   -0.994725   -0.288188   -0.054290    0.029602
H     1.198159    1.887622   -0.910362   -0.765260    0.603524   -0.275984
H     0.768918   -1.953088    0.915445    0.831308    0.397688   -0.199492
H    -1.712668   -1.704217    0.830227    0.198952   -0.102116    0.045806
H     2.806357   -0.966963    0.421254    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.641188    0.229640   -0.087190    0.020412    0.124524   -0.059278
C    -0.792761    1.231460   -0.573147   -0.069950    0.020072   -0.008594
C     0.568476    1.087493   -0.522868    0.171508   -0.038532    0.016002
C     1.127846   -0.066091    0.016452    0.021630   -0.126224    0.059526
C     0.304435   -1.073809    0.504874   -0.162442    0.010570   -0.002866
C    -1.087372   -0.912096    0.446587    0.055404   -0.010762    0.004368
O     2.475144   -0.172951    0.049329   -0.095230   -0.040112    0.020266
H    -2.710658    0.383410   -0.145961   -0.053410   -0.430288    0.204604
H    -1.199973    2.139553   -0.998135   -0.288188   -0.054290    0.029602
H     1.286329    1.818086   -0.878564   -0.765260    0.603524   -0.275984
H     0.673138   -1.998908    0.938429    0.831308    0.397688   -0.199492
H    -1.735590   -1.692451    0.824949    0.198952   -0.102116    0.045806
H     2.673577   -1.020497    0.448366    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.643412    0.216071   -0.080730    0.020412    0.124524   -0.059278
C    -0.785139    1.229272   -0.572210   -0.069950    0.020072   -0.008594
C     0.549786    1.091692   -0.524612    0.171508   -0.038532    0.016002
C     1.125489   -0.052336    0.009965    0.021630   -0.126224    0.059526
C     0.322137   -1.074961    0.505186   -0.162442    0.010570   -0.002866
C    -1.093409   -0.910923    0.446111    0.055404   -0.010762    0.004368
O     2.485522   -0.168580    0.047120   -0.095230   -0.040112    0.020266
H    -2.704838    0.430300   -0.168257   -0.053410   -0.430288    0.204604
H    -1.168568    2.145469   -1.001361   -0.288188   -0.054290    0.029602
H     1.369722    1.752318   -0.848489   -0.765260    0.603524   -0.275984
H     0.582547   -2.042245    0.960169    0.831308    0.397688   -0.199492
H    -1.757271   -1.681323    0.819958    0.198952   -0.102116    0.045806
H     2.547992   -1.071132    0.474009    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.645268    0.204749   -0.075341    0.020412    0.124524   -0.059278
C    -0.778779    1.227447   -0.571429   -0.069950    0.020072   -0.008594
C     0.534192    1.095195   -0.526067    0.171508   -0.038532    0.016002
C     1.123522   -0.040860    0.004553    0.021630   -0.126224    0.059526
C     0.336906   -1.075922    0.505447   -0.162442    0.010570   -0.002866
C    -1.098447   -0.909945    0.445714    0.055404   -0.010762    0.004368
O     2.494180   -0.164933    0.045277   -0.095230   -0.040112    0.020266
H    -2.699982    0.469423   -0.186860   -0.053410   -0.430288    0.204604
H    -1.142366    2.150405   -1.004053   -0.288188   -0.054290    0.029602
H     1.439301    1.697445   -0.823396   -0.765260    0.603524   -0.275984
H     0.506963   -2.078404    0.978307    0.831308    0.397688   -0.199492
H    -1.775360   -1.672039    0.815793    0.198952   -0.102116    0.045806
H     2.443210   -1.113378    0.495404    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.646554    0.196901   -0.071605    0.020412    0.124524   -0.059278
C    -0.774371    1.226183   -0.570887   -0.069950    0.020072   -0.008594
C     0.523384    1.097623   -0.527075    0.171508   -0.038532    0.016002
C     1.122159   -0.032906    0.000802    0.021630   -0.126224    0.059526
C     0.347143   -1.076588    0.505628   -0.162442    0.010570   -0.002866
C    -1.101938   -0.909267    0.445439    0.055404   -0.010762    0.004368
O     2.500181   -0.162405    0.044000   -0.095230   -0.040112    0.020266
H    -2.696616    0.496538   -0.199754   -0.053410   -0.430288    0.204604
H    -1.124205    2.153826   -1.005918   -0.288188   -0.054290    0.029602
H     1.487526    1.659412   -0.806004   -0.765260    0.603524   -0.275984
H     0.454577   -2.103465    0.990878    0.831308    0.397688   -0.199492
H    -1.787897   -1.665604    0.812906    0.198952   -0.102116    0.045806
H     2.370586   -1.142659    0.510233    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.647132    0.193379   -0.069929    0.020412    0.124524   -0.059278
C    -0.772392    1.225615   -0.570644   -0.069950    0.020072   -0.008594
C     0.518533    1.098713   -0.527528    0.171508   -0.038532    0.016002
C     1.121547   -0.029335   -0.000882    0.021630   -0.126224    0.059526
C     0.351738   -1.076887    0.505709   -0.162442    0.010570   -0.002866
C    -1.103505   -0.908962    0.445315    0.055404   -0.010762    0.004368
O     2.502875   -0.161271    0.043427   -0.095230   -0.040112    0.020266
H    -2.695105    0.508708   -0.205541   -0.053410   -0.430288    0.204604
H    -1.116054    2.155362   -1.006755   -0.288188   -0.054290    0.029602
H     1.509170    1.642342   -0.798199   -0.765260    0.603524   -0.275984
H     0.431064   -2.114713    0.996521    0.831308    0.397688   -0.199492
H    -1.793524   -1.662715    0.811611    0.198952   -0.102116    0.045806
H     2.337991   -1.155801    0.516889    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.646938    0.194564   -0.070493    0.020412    0.124524   -0.059278
C    -0.773058    1.225806   -0.570726   -0.069950    0.020072   -0.008594
C     0.520165    1.098347   -0.527375    0.171508   -0.038532    0.016002
C     1.121753   -0.030536   -0.000316    0.021630   -0.126224    0.059526
C     0.350192   -1.076786    0.505681   -0.162442    0.010570   -0.002866
C    -1.102978   -0.909065    0.445357    0.055404   -0.010762    0.004368
O     2.501969   -0.161652    0.043620   -0.095230   -0.040112    0.020266
H    -2.695614    0.504614   -0.203594   -0.053410   -0.430288    0.204604
H    -1.118796    2.154845   -1.006474   -0.288188   -0.054290    0.029602
H     1.501889    1.648084   -0.800824   -0.765260    0.603524   -0.275984
H     0.438973   -2.110930    0.994623    0.831308    0.397688   -0.199492
H    -1.791631   -1.663687    0.812046    0.198952   -0.102116    0.045806
H     2.348956   -1.151380    0.514650    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.645993    0.200327   -0.073236    0.020412    0.124524   -0.059278
C    -0.776295    1.226735   -0.571124   -0.069950    0.020072   -0.008594
C     0.528103    1.096563   -0.526635    0.171508   -0.038532    0.016002
C     1.122754   -0.036378    0.002439    0.021630   -0.126224    0.059526
C     0.342674   -1.076297    0.505549   -0.162442    0.010570   -0.002866
C    -1.100414   -0.909563    0.445559    0.055404   -0.010762    0.004368
O     2.497561   -0.163509    0.044558   -0.095230   -0.040112    0.020266
H    -2.698085    0.484700   -0.194125   -0.053410   -0.430288    0.204604
H    -1.132134    2.152332   -1.005104   -0.288188   -0.054290    0.029602
H     1.466472    1.676016   -0.813597   -0.765260    0.603524   -0.275984
H     0.477448   -2.092524    0.985390    0.831308    0.397688   -0.199492
H    -1.782424   -1.668413    0.814166    0.198952   -0.102116    0.045806
H     2.402293   -1.129876    0.503759    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.644400    0.210045   -0.077862    0.020412    0.124524   -0.059278
C    -0.781754    1.228301   -0.571795   -0.069950    0.020072   -0.008594
C     0.541486    1.093556   -0.525386    0.171508   -0.038532    0.016002
C     1.124442   -0.046228    0.007084    0.021630   -0.126224    0.059526
C     0.329998   -1.075472    0.505325   -0.162442    0.010570   -0.002866
C    -1.096090   -0.910402    0.445900    0.055404   -0.010762    0.004368
O     2.490130   -0.166639    0.046139   -0.095230   -0.040112    0.020266
H    -2.702253    0.451123   -0.178159   -0.053410   -0.430288    0.204604
H    -1.154622    2.148096   -1.002794   -0.288188   -0.054290    0.029602
H     1.406755    1.723112   -0.835133   -0.765260    0.603524   -0.275984
H     0.542318   -2.061491    0.969823    0.831308    0.397688   -0.199492
H    -1.766899   -1.676382    0.817741    0.198952   -0.102116    0.045806
H     2.492222   -1.093617    0.485396    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.642332    0.222662   -0.083868    0.020412    0.124524   -0.059278
C    -0.788842    1.230335   -0.572665   -0.069950    0.020072   -0.008594
C     0.558865    1.089652   -0.523765    0.171508   -0.038532    0.016002
C     1.126634   -0.059018    0.013116    0.021630   -0.126224    0.059526
C     0.313538   -1.074401    0.505035   -0.162442    0.010570   -0.002866
C    -1.090476   -0.911493    0.446343    0.055404   -0.010762    0.004368
O     2.480480   -0.170703    0.048193   -0.095230   -0.040112    0.020266
H    -2.707665    0.407522   -0.157426   -0.053410   -0.430288    0.204604
H    -1.183824    2.142595   -0.999794   -0.288188   -0.054290    0.029602
H     1.329212    1.784267   -0.863099   -0.765260    0.603524   -0.275984
H     0.626554   -2.021193    0.949608    0.831308    0.397688   -0.199492
H    -1.746739   -1.686729    0.822382    0.198952   -0.102116    0.045806
H     2.608998   -1.046535    0.461552    1.152440    0.464648   -0.235314
13
* Frequency(27) 1396.4000
C    -1.640012    0.236814   -0.090605    0.020412    0.124524   -0.059278
C    -0.796791    1.232616   -0.573642   -0.069950    0.020072   -0.008594
C     0.578356    1.085273   -0.521946    0.171508   -0.038532    0.016002
C     1.129092   -0.073363    0.019881    0.021630   -0.126224    0.059526
C     0.295077   -1.073200    0.504709   -0.162442    0.010570   -0.002866
C    -1.084180   -0.912716    0.446839    0.055404   -0.010762    0.004368
O     2.469658   -0.175262    0.050496   -0.095230   -0.040112    0.020266
H    -2.713735    0.358622   -0.134174   -0.053410   -0.430288    0.204604
H    -1.216575    2.136425   -0.996430   -0.288188   -0.054290    0.029602
H     1.242244    1.852854   -0.894463   -0.765260    0.603524   -0.275984
H     0.721028   -1.975998    0.926937    0.831308    0.397688   -0.199492
H    -1.724129   -1.698334    0.827588    0.198952   -0.102116    0.045806
H     2.739967   -0.993730    0.434810    1.152440    0.464648   -0.235314
