58
 Sum of electronic and thermal Free Energies=        -1361.637222
C 0.0662095273 1.1138027747 -0.1140516721
C -1.0135251534 0.303364489 0.0914758722
C -0.9998446967 -0.8851657206 1.0197696866
N -2.2820135696 -1.4405531126 0.9637515098
C -3.1027974304 -0.7115421319 0.1036389492
C -2.3852011959 0.3799552702 -0.4318488083
C -4.4302224925 -0.9576683317 -0.2272296231
C -5.0470071019 -0.1057787957 -1.1459201593
C -4.3462778696 0.9531446139 -1.7228749211
C -3.0172899952 1.1975123751 -1.3702818959
C -0.1165993557 2.5674187455 -0.5642689741
C 1.2101608723 3.3393147143 -0.5235820981
C 2.3578332082 1.5455152197 0.6820958682
C 1.4466890018 0.6447655867 0.1403611096
C 3.6482527878 1.1151537107 1.0703922079
C 4.0440549581 -0.1797718729 0.8686765885
C 3.2010423566 -1.0934849627 0.1822802616
C 1.8988251004 -0.6785787028 -0.2213698718
C 3.6587007051 -2.4008329109 -0.1372472677
C 2.8846672609 -3.2593371993 -0.8750803244
C 1.6218169983 -2.8283515125 -1.3409585075
C 1.145343087 -1.5800189199 -1.0231427328
O -0.1272870867 -1.2746754953 1.756718027
C -1.1486565267 3.3106870099 0.301896749
H -4.9715791658 -1.7932739225 0.2180778514
H -6.0905780917 -0.278826634 -1.4175313377
H -4.8386489237 1.6008103096 -2.4505068028
H -2.4901138707 2.0328004279 -1.8310270131
H -0.4750828765 2.5524862873 -1.6084270248
H 1.8373043118 3.0816645519 -1.3915724661
H 1.0003306805 4.417828111 -0.5851277862
H 4.3276990036 1.8341106536 1.5349711322
H 5.0341521661 -0.5132982901 1.1893036771
H 4.6515608249 -2.7033793311 0.2051654054
H 3.2462845695 -4.2601027293 -1.1199614751
H 1.018917819 -3.4923673443 -1.9641995025
H 0.1724862662 -1.27266743 -1.406439971
H -2.1040150853 2.7815678953 0.3853220342
H -1.3467319345 4.306771796 -0.121677463
H -0.7650465681 3.4500137142 1.3235583162
C 1.9839546092 3.0007620843 0.7504499896
H 1.3746573293 3.2205763735 1.6436701161
H 2.8927814472 3.6142321385 0.8355135405
C -2.65586701 -2.6116670872 1.6697240154
C -2.5289948721 -2.6726364199 3.0542027589
C -3.1291036837 -3.7319537929 0.9756898884
C -2.8737558868 -3.831368854 3.7496860318
H -2.1399464462 -1.8096591434 3.5950606351
C -3.4939370097 -4.8801660098 1.6605801133
H -3.2059079139 -3.6974690694 -0.1130747203
C -3.3665797069 -4.9416228488 3.0558741387
H -2.7540661375 -3.8507068199 4.8327168911
H -3.8685805593 -5.7588965459 1.1335066824
O -3.7359823464 -6.1020832479 3.6365328312
C -3.6180052699 -6.2356754305 5.0262794929
H -3.9631221176 -7.2464219366 5.2756542923
H -2.5721151134 -6.1233111158 5.3616257801
H -4.2450290168 -5.5027646408 5.5637969647