55
 Sum of electronic and thermal Free Energies=        -1339.359403
C -0.4557217952 -0.3061195436 1.012369228
C -1.6159244979 -1.0608289315 0.8393741358
C -0.0956643062 1.0696787868 1.3620701171
C 1.2481475073 1.2840502587 0.9970138852
N 1.7640748395 0.101898868 0.4592256445
C 0.8535637648 -0.9577966089 0.6457361328
C -0.6811311746 1.9869987131 2.2434780991
C -0.0159226774 3.1660839705 2.5725073007
C 1.2698747762 3.4114771617 2.0857946758
C 1.9328386319 2.450788355 1.3220158909
O 1.1310257194 -2.1101140322 0.3943025118
C -2.8103153343 -0.7482656237 -0.0095019328
C -3.4805278693 -1.8553622861 -0.5579120221
C -1.4888853016 -2.4957780449 1.3747619335
C -3.1388978953 0.5506374975 -0.5903739564
C -3.8920163486 0.6327356404 -1.8012247196
C -4.429782626 -0.5485572827 -2.3745520333
C -4.2707345816 -1.7379257251 -1.731373884
C -2.7960848541 1.78209653 0.0042088358
C -3.0650748749 2.9982839202 -0.5837760891
C -3.7240386655 3.0602137855 -1.8254640003
C -4.1459055128 1.889329566 -2.4078640583
C -0.8713261479 -2.5227729899 2.7793465245
C -2.8219052672 -3.224888391 1.3967056557
H -1.6493928664 1.7736550309 2.7000734383
H -0.4944668495 3.8877175857 3.2371442053
H 1.7859380744 4.3368454371 2.3492700289
H 2.9728998031 2.5938657804 1.0267055753
H -0.807769924 -3.0395746708 0.697186096
H -4.9996501207 -0.4829998231 -3.3043226469
H -4.7282371977 -2.6455673372 -2.1324780401
H -2.3463622039 1.777388831 0.9807352342
H -2.773180967 3.9156989254 -0.0677599768
H -3.9258930451 4.022571317 -2.2997640491
H -4.7050605137 1.9065948559 -3.3465932309
H -1.472657508 -1.9230372536 3.4808756722
H 0.1567198052 -2.1448309643 2.7956152014
H -0.8485627075 -3.55781307 3.1522622157
H -3.522441545 -2.7182070326 2.0836881784
H -2.6735327605 -4.2449520532 1.7805529326
C -3.3871258681 -3.2465310201 0.0033266165
H -4.3886404956 -3.7035836218 -0.0281146068
H -2.7465294112 -3.8614854351 -0.6546031594
C 3.0289314182 -0.0439741147 -0.141266771
C 3.8511701623 -1.1355927234 0.1630477477
C 3.462004089 0.9136023394 -1.0680963393
C 5.0917455948 -1.260100605 -0.4482684566
H 3.5082699955 -1.8892521543 0.8689416708
C 4.7080675116 0.7975970977 -1.667612809
H 2.8078065175 1.7478689999 -1.3263143506
C 5.5332999986 -0.2932147588 -1.3615695472
H 5.7319178715 -2.1111049315 -0.210783688
H 5.041659332 1.5458050452 -2.3882102475
C 6.8237047158 -0.4197971267 -1.9839267497
N 7.8626435857 -0.5194251434 -2.4843680201