13
* (null), Energy   -1000.0000000
C    -1.640012    0.236814   -0.090605   -0.002034   -0.087640   -0.184752
C    -0.796791    1.232616   -0.573642   -0.000550   -0.011886   -0.026416
C     0.578356    1.085273   -0.521946   -0.001766   -0.057396   -0.122236
C     1.129092   -0.073363    0.019881    0.003914    0.147004    0.310212
C     0.295077   -1.073200    0.504709   -0.002022   -0.065436   -0.137156
C    -1.084180   -0.912716    0.446839   -0.000944   -0.019644   -0.040288
O     2.469658   -0.175262    0.050496   -0.000514   -0.040650   -0.085590
H    -2.713735    0.358622   -0.134174    0.014382    0.502474    1.060340
H    -1.216575    2.136425   -0.996430    0.011288    0.435662    0.918510
H     1.242244    1.852854   -0.894463    0.002482    0.089578    0.188076
H     0.721028   -1.975998    0.926937    0.002802    0.097134    0.205580
H    -1.724129   -1.698334    0.827588    0.010936    0.431474    0.910508
H     2.739967   -0.993730    0.434810    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640243    0.226854   -0.111601   -0.002034   -0.087640   -0.184752
C    -0.796854    1.231265   -0.576644   -0.000550   -0.011886   -0.026416
C     0.578155    1.078750   -0.535837   -0.001766   -0.057396   -0.122236
C     1.129537   -0.056657    0.055135    0.003914    0.147004    0.310212
C     0.294847   -1.080636    0.489122   -0.002022   -0.065436   -0.137156
C    -1.084287   -0.914948    0.442260   -0.000944   -0.019644   -0.040288
O     2.469600   -0.179882    0.040769   -0.000514   -0.040650   -0.085590
H    -2.712101    0.415726   -0.013672    0.014382    0.502474    1.060340
H    -1.215292    2.185936   -0.892046    0.011288    0.435662    0.918510
H     1.242526    1.863034   -0.873089    0.002482    0.089578    0.188076
H     0.721346   -1.964959    0.950300    0.002802    0.097134    0.205580
H    -1.722886   -1.649299    0.931063    0.010936    0.431474    0.910508
H     2.740743   -0.968635    0.487790    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640449    0.217974   -0.130322   -0.002034   -0.087640   -0.184752
C    -0.796909    1.230061   -0.579321   -0.000550   -0.011886   -0.026416
C     0.577976    1.072934   -0.548224   -0.001766   -0.057396   -0.122236
C     1.129933   -0.041761    0.086569    0.003914    0.147004    0.310212
C     0.294642   -1.087267    0.475224   -0.002022   -0.065436   -0.137156
C    -1.084383   -0.916939    0.438178   -0.000944   -0.019644   -0.040288
O     2.469548   -0.184001    0.032096   -0.000514   -0.040650   -0.085590
H    -2.710643    0.466641    0.093772    0.014382    0.502474    1.060340
H    -1.214148    2.230081   -0.798974    0.011288    0.435662    0.918510
H     1.242778    1.872111   -0.854031    0.002482    0.089578    0.188076
H     0.721630   -1.955117    0.971131    0.002802    0.097134    0.205580
H    -1.721778   -1.605578    1.023324    0.010936    0.431474    0.910508
H     2.741435   -0.946260    0.535029    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640608    0.211135   -0.144739   -0.002034   -0.087640   -0.184752
C    -0.796952    1.229133   -0.581382   -0.000550   -0.011886   -0.026416
C     0.577839    1.068455   -0.557762   -0.001766   -0.057396   -0.122236
C     1.130239   -0.030290    0.110776    0.003914    0.147004    0.310212
C     0.294485   -1.092373    0.464521   -0.002022   -0.065436   -0.137156
C    -1.084457   -0.918472    0.435034   -0.000944   -0.019644   -0.040288
O     2.469507   -0.187173    0.025417   -0.000514   -0.040650   -0.085590
H    -2.709521    0.505851    0.176514    0.014382    0.502474    1.060340
H    -1.213268    2.264078   -0.727299    0.011288    0.435662    0.918510
H     1.242971    1.879101   -0.839355    0.002482    0.089578    0.188076
H     0.721849   -1.947537    0.987174    0.002802    0.097134    0.205580
H    -1.720925   -1.571909    1.094374    0.010936    0.431474    0.910508
H     2.741968   -0.929029    0.571407    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640702    0.207079   -0.153290   -0.002034   -0.087640   -0.184752
C    -0.796978    1.228583   -0.582605   -0.000550   -0.011886   -0.026416
C     0.577757    1.065799   -0.563419   -0.001766   -0.057396   -0.122236
C     1.130420   -0.023486    0.125133    0.003914    0.147004    0.310212
C     0.294391   -1.095402    0.458173   -0.002022   -0.065436   -0.137156
C    -1.084500   -0.919381    0.433170   -0.000944   -0.019644   -0.040288
O     2.469484   -0.189054    0.021456   -0.000514   -0.040650   -0.085590
H    -2.708855    0.529106    0.225589    0.014382    0.502474    1.060340
H    -1.212745    2.284241   -0.684789    0.011288    0.435662    0.918510
H     1.243086    1.883247   -0.830651    0.002482    0.089578    0.188076
H     0.721979   -1.943041    0.996688    0.002802    0.097134    0.205580
H    -1.720419   -1.551939    1.136514    0.010936    0.431474    0.910508
H     2.742284   -0.918809    0.592983    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640721    0.206245   -0.155047   -0.002034   -0.087640   -0.184752
C    -0.796983    1.228470   -0.582856   -0.000550   -0.011886   -0.026416
C     0.577740    1.065253   -0.564582   -0.001766   -0.057396   -0.122236
C     1.130457   -0.022087    0.128084    0.003914    0.147004    0.310212
C     0.294372   -1.096024    0.456868   -0.002022   -0.065436   -0.137156
C    -1.084509   -0.919568    0.432786   -0.000944   -0.019644   -0.040288
O     2.469479   -0.189441    0.020642   -0.000514   -0.040650   -0.085590
H    -2.708718    0.533887    0.235677    0.014382    0.502474    1.060340
H    -1.212638    2.288386   -0.676050    0.011288    0.435662    0.918510
H     1.243110    1.884099   -0.828861    0.002482    0.089578    0.188076
H     0.722005   -1.942117    0.998644    0.002802    0.097134    0.205580
H    -1.720314   -1.547834    1.145177    0.010936    0.431474    0.910508
H     2.742349   -0.916708    0.597419    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640664    0.208724   -0.149822   -0.002034   -0.087640   -0.184752
C    -0.796967    1.228806   -0.582109   -0.000550   -0.011886   -0.026416
C     0.577790    1.066876   -0.561125   -0.001766   -0.057396   -0.122236
C     1.130347   -0.026245    0.119310    0.003914    0.147004    0.310212
C     0.294429   -1.094174    0.460748   -0.002022   -0.065436   -0.137156
C    -1.084483   -0.919012    0.433926   -0.000944   -0.019644   -0.040288
O     2.469493   -0.188291    0.023063   -0.000514   -0.040650   -0.085590
H    -2.709125    0.519675    0.205687    0.014382    0.502474    1.060340
H    -1.212957    2.276064   -0.702029    0.011288    0.435662    0.918510
H     1.243040    1.881566   -0.834181    0.002482    0.089578    0.188076
H     0.721926   -1.944865    0.992830    0.002802    0.097134    0.205580
H    -1.720624   -1.560038    1.119425    0.010936    0.431474    0.910508
H     2.742156   -0.922953    0.584233    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640536    0.214246   -0.138179   -0.002034   -0.087640   -0.184752
C    -0.796933    1.229555   -0.580444   -0.000550   -0.011886   -0.026416
C     0.577901    1.070493   -0.553422   -0.001766   -0.057396   -0.122236
C     1.130100   -0.035509    0.099762    0.003914    0.147004    0.310212
C     0.294556   -1.090050    0.469391   -0.002022   -0.065436   -0.137156
C    -1.084423   -0.917774    0.436465   -0.000944   -0.019644   -0.040288
O     2.469526   -0.185730    0.028456   -0.000514   -0.040650   -0.085590
H    -2.710032    0.488011    0.138867    0.014382    0.502474    1.060340
H    -1.213668    2.248609   -0.759911    0.011288    0.435662    0.918510
H     1.242883    1.875921   -0.846033    0.002482    0.089578    0.188076
H     0.721750   -1.950986    0.979875    0.002802    0.097134    0.205580
H    -1.721313   -1.587228    1.062047    0.010936    0.431474    0.910508
H     2.741726   -0.936869    0.554855    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640351    0.222215   -0.121381   -0.002034   -0.087640   -0.184752
C    -0.796883    1.230636   -0.578042   -0.000550   -0.011886   -0.026416
C     0.578062    1.075712   -0.542308   -0.001766   -0.057396   -0.122236
C     1.129744   -0.048875    0.071557    0.003914    0.147004    0.310212
C     0.294740   -1.084100    0.481861   -0.002022   -0.065436   -0.137156
C    -1.084337   -0.915988    0.440128   -0.000944   -0.019644   -0.040288
O     2.469572   -0.182034    0.036238   -0.000514   -0.040650   -0.085590
H    -2.711339    0.442325    0.042459    0.014382    0.502474    1.060340
H    -1.214695    2.208998   -0.843423    0.011288    0.435662    0.918510
H     1.242657    1.867776   -0.863133    0.002482    0.089578    0.188076
H     0.721495   -1.959817    0.961183    0.002802    0.097134    0.205580
H    -1.722307   -1.626458    0.979262    0.010936    0.431474    0.910508
H     2.741105   -0.956946    0.512468    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640129    0.231765   -0.101248   -0.002034   -0.087640   -0.184752
C    -0.796823    1.231931   -0.575164   -0.000550   -0.011886   -0.026416
C     0.578254    1.081967   -0.528988   -0.001766   -0.057396   -0.122236
C     1.129317   -0.064894    0.037752    0.003914    0.147004    0.310212
C     0.294961   -1.076970    0.496808   -0.002022   -0.065436   -0.137156
C    -1.084234   -0.913848    0.444518   -0.000944   -0.019644   -0.040288
O     2.469628   -0.177604    0.045565   -0.000514   -0.040650   -0.085590
H    -2.712906    0.387569   -0.073090    0.014382    0.502474    1.060340
H    -1.215925    2.161523   -0.943516    0.011288    0.435662    0.918510
H     1.242387    1.858014   -0.883628    0.002482    0.089578    0.188076
H     0.721189   -1.970402    0.938780    0.002802    0.097134    0.205580
H    -1.723499   -1.673478    0.880041    0.010936    0.431474    0.910508
H     2.740360   -0.981009    0.461666    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639895    0.241863   -0.079962   -0.002034   -0.087640   -0.184752
C    -0.796759    1.233301   -0.572120   -0.000550   -0.011886   -0.026416
C     0.578458    1.088579   -0.514904   -0.001766   -0.057396   -0.122236
C     1.128867   -0.081832    0.002010    0.003914    0.147004    0.310212
C     0.295193   -1.069430    0.512610   -0.002022   -0.065436   -0.137156
C    -1.084126   -0.911584    0.449160   -0.000944   -0.019644   -0.040288
O     2.469688   -0.172920    0.055427   -0.000514   -0.040650   -0.085590
H    -2.714564    0.329675   -0.195258    0.014382    0.502474    1.060340
H    -1.217225    2.111327   -1.049344    0.011288    0.435662    0.918510
H     1.242101    1.847694   -0.905298    0.002482    0.089578    0.188076
H     0.720867   -1.981594    0.915094    0.002802    0.097134    0.205580
H    -1.724759   -1.723190    0.775135    0.010936    0.431474    0.910508
H     2.739574   -1.006451    0.407954    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639673    0.251413   -0.059829   -0.002034   -0.087640   -0.184752
C    -0.796699    1.234596   -0.569242   -0.000550   -0.011886   -0.026416
C     0.578650    1.094834   -0.501584   -0.001766   -0.057396   -0.122236
C     1.128440   -0.097851   -0.031795    0.003914    0.147004    0.310212
C     0.295414   -1.062300    0.527557   -0.002022   -0.065436   -0.137156
C    -1.084023   -0.909444    0.453550   -0.000944   -0.019644   -0.040288
O     2.469744   -0.168490    0.064754   -0.000514   -0.040650   -0.085590
H    -2.716131    0.274919   -0.310807    0.014382    0.502474    1.060340
H    -1.218455    2.063852   -1.149437    0.011288    0.435662    0.918510
H     1.241831    1.837932   -0.925793    0.002482    0.089578    0.188076
H     0.720561   -1.992179    0.892691    0.002802    0.097134    0.205580
H    -1.725951   -1.770210    0.675914    0.010936    0.431474    0.910508
H     2.738829   -1.030514    0.357152    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639488    0.259382   -0.043031   -0.002034   -0.087640   -0.184752
C    -0.796649    1.235677   -0.566840   -0.000550   -0.011886   -0.026416
C     0.578811    1.100053   -0.490470   -0.001766   -0.057396   -0.122236
C     1.128084   -0.111217   -0.060000    0.003914    0.147004    0.310212
C     0.295598   -1.056350    0.540027   -0.002022   -0.065436   -0.137156
C    -1.083937   -0.907658    0.457213   -0.000944   -0.019644   -0.040288
O     2.469790   -0.164794    0.072536   -0.000514   -0.040650   -0.085590
H    -2.717438    0.229233   -0.407215    0.014382    0.502474    1.060340
H    -1.219482    2.024241   -1.232949    0.011288    0.435662    0.918510
H     1.241605    1.829787   -0.942893    0.002482    0.089578    0.188076
H     0.720306   -2.001010    0.873999    0.002802    0.097134    0.205580
H    -1.726945   -1.809440    0.593129    0.010936    0.431474    0.910508
H     2.738208   -1.050591    0.314765    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639360    0.264904   -0.031388   -0.002034   -0.087640   -0.184752
C    -0.796615    1.236426   -0.565175   -0.000550   -0.011886   -0.026416
C     0.578922    1.103670   -0.482767   -0.001766   -0.057396   -0.122236
C     1.127837   -0.120481   -0.079548    0.003914    0.147004    0.310212
C     0.295725   -1.052226    0.548670   -0.002022   -0.065436   -0.137156
C    -1.083877   -0.906420    0.459752   -0.000944   -0.019644   -0.040288
O     2.469823   -0.162233    0.077929   -0.000514   -0.040650   -0.085590
H    -2.718345    0.197569   -0.474035    0.014382    0.502474    1.060340
H    -1.220193    1.996786   -1.290831    0.011288    0.435662    0.918510
H     1.241448    1.824142   -0.954745    0.002482    0.089578    0.188076
H     0.720130   -2.007131    0.861044    0.002802    0.097134    0.205580
H    -1.727634   -1.836630    0.535751    0.010936    0.431474    0.910508
H     2.737778   -1.064507    0.285387    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639303    0.267383   -0.026163   -0.002034   -0.087640   -0.184752
C    -0.796599    1.236762   -0.564428   -0.000550   -0.011886   -0.026416
C     0.578972    1.105293   -0.479310   -0.001766   -0.057396   -0.122236
C     1.127727   -0.124639   -0.088322    0.003914    0.147004    0.310212
C     0.295782   -1.050376    0.552550   -0.002022   -0.065436   -0.137156
C    -1.083851   -0.905864    0.460892   -0.000944   -0.019644   -0.040288
O     2.469837   -0.161083    0.080350   -0.000514   -0.040650   -0.085590
H    -2.718752    0.183357   -0.504025    0.014382    0.502474    1.060340
H    -1.220512    1.984464   -1.316810    0.011288    0.435662    0.918510
H     1.241378    1.821609   -0.960065    0.002482    0.089578    0.188076
H     0.720051   -2.009879    0.855230    0.002802    0.097134    0.205580
H    -1.727944   -1.848834    0.509999    0.010936    0.431474    0.910508
H     2.737585   -1.070752    0.272201    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639322    0.266549   -0.027920   -0.002034   -0.087640   -0.184752
C    -0.796604    1.236649   -0.564679   -0.000550   -0.011886   -0.026416
C     0.578955    1.104747   -0.480473   -0.001766   -0.057396   -0.122236
C     1.127764   -0.123240   -0.085371    0.003914    0.147004    0.310212
C     0.295763   -1.050998    0.551245   -0.002022   -0.065436   -0.137156
C    -1.083860   -0.906051    0.460508   -0.000944   -0.019644   -0.040288
O     2.469832   -0.161470    0.079536   -0.000514   -0.040650   -0.085590
H    -2.718615    0.188138   -0.493937    0.014382    0.502474    1.060340
H    -1.220405    1.988609   -1.308071    0.011288    0.435662    0.918510
H     1.241402    1.822461   -0.958275    0.002482    0.089578    0.188076
H     0.720077   -2.008955    0.857186    0.002802    0.097134    0.205580
H    -1.727839   -1.844729    0.518662    0.010936    0.431474    0.910508
H     2.737650   -1.068651    0.276637    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639416    0.262493   -0.036471   -0.002034   -0.087640   -0.184752
C    -0.796630    1.236099   -0.565902   -0.000550   -0.011886   -0.026416
C     0.578873    1.102091   -0.486130   -0.001766   -0.057396   -0.122236
C     1.127945   -0.116436   -0.071014    0.003914    0.147004    0.310212
C     0.295669   -1.054027    0.544897   -0.002022   -0.065436   -0.137156
C    -1.083903   -0.906960    0.458644   -0.000944   -0.019644   -0.040288
O     2.469809   -0.163351    0.075575   -0.000514   -0.040650   -0.085590
H    -2.717949    0.211393   -0.444862    0.014382    0.502474    1.060340
H    -1.219882    2.008772   -1.265561    0.011288    0.435662    0.918510
H     1.241517    1.826607   -0.949571    0.002482    0.089578    0.188076
H     0.720207   -2.004459    0.866700    0.002802    0.097134    0.205580
H    -1.727333   -1.824759    0.560802    0.010936    0.431474    0.910508
H     2.737966   -1.058431    0.298213    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639575    0.255654   -0.050888   -0.002034   -0.087640   -0.184752
C    -0.796673    1.235171   -0.567963   -0.000550   -0.011886   -0.026416
C     0.578736    1.097612   -0.495668   -0.001766   -0.057396   -0.122236
C     1.128251   -0.104965   -0.046807    0.003914    0.147004    0.310212
C     0.295512   -1.059133    0.534194   -0.002022   -0.065436   -0.137156
C    -1.083977   -0.908493    0.455500   -0.000944   -0.019644   -0.040288
O     2.469768   -0.166523    0.068896   -0.000514   -0.040650   -0.085590
H    -2.716827    0.250603   -0.362120    0.014382    0.502474    1.060340
H    -1.219002    2.042769   -1.193886    0.011288    0.435662    0.918510
H     1.241710    1.833597   -0.934895    0.002482    0.089578    0.188076
H     0.720426   -1.996879    0.882743    0.002802    0.097134    0.205580
H    -1.726480   -1.791090    0.631852    0.010936    0.431474    0.910508
H     2.738499   -1.041200    0.334591    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.639781    0.246774   -0.069609   -0.002034   -0.087640   -0.184752
C    -0.796728    1.233967   -0.570640   -0.000550   -0.011886   -0.026416
C     0.578557    1.091796   -0.508055   -0.001766   -0.057396   -0.122236
C     1.128647   -0.090069   -0.015373    0.003914    0.147004    0.310212
C     0.295307   -1.065764    0.520296   -0.002022   -0.065436   -0.137156
C    -1.084073   -0.910484    0.451418   -0.000944   -0.019644   -0.040288
O     2.469716   -0.170642    0.060223   -0.000514   -0.040650   -0.085590
H    -2.715369    0.301518   -0.254676    0.014382    0.502474    1.060340
H    -1.217858    2.086914   -1.100814    0.011288    0.435662    0.918510
H     1.241962    1.842674   -0.915837    0.002482    0.089578    0.188076
H     0.720710   -1.987037    0.903574    0.002802    0.097134    0.205580
H    -1.725372   -1.747369    0.724113    0.010936    0.431474    0.910508
H     2.739191   -1.018825    0.381830    0.006830    0.220818    0.466188
13
* Frequency(13)  840.3300
C    -1.640012    0.236814   -0.090605   -0.002034   -0.087640   -0.184752
C    -0.796791    1.232616   -0.573642   -0.000550   -0.011886   -0.026416
C     0.578356    1.085273   -0.521946   -0.001766   -0.057396   -0.122236
C     1.129092   -0.073363    0.019881    0.003914    0.147004    0.310212
C     0.295077   -1.073200    0.504709   -0.002022   -0.065436   -0.137156
C    -1.084180   -0.912716    0.446839   -0.000944   -0.019644   -0.040288
O     2.469658   -0.175262    0.050496   -0.000514   -0.040650   -0.085590
H    -2.713735    0.358622   -0.134174    0.014382    0.502474    1.060340
H    -1.216575    2.136425   -0.996430    0.011288    0.435662    0.918510
H     1.242244    1.852854   -0.894463    0.002482    0.089578    0.188076
H     0.721028   -1.975998    0.926937    0.002802    0.097134    0.205580
H    -1.724129   -1.698334    0.827588    0.010936    0.431474    0.910508
H     2.739967   -0.993730    0.434810    0.006830    0.220818    0.466188
