58
 Sum of electronic and thermal Free Energies=        -1361.593453
C -0.5658601455 -0.3352485499 0.962946385
C -1.7253406984 -1.0756581854 0.7436225634
C -0.1988805811 1.0072589585 1.4223650892
C 1.1426412737 1.2443810277 1.0598614077
N 1.6475379023 0.1159326371 0.4192588611
C 0.7471831218 -0.9519744605 0.5236050197
C -0.7677843287 1.8557468682 2.3797983198
C -0.0933504957 3.0056164573 2.7879005916
C 1.1843178572 3.286479456 2.2985769898
C 1.833560061 2.3854585985 1.4540161454
O 1.0235204869 -2.0809232485 0.1788647334
C -2.943096068 -0.7007281746 -0.0513007042
C -3.6214459974 -1.7606908563 -0.67669127
C -1.5797125024 -2.5516300278 1.1511291799
C -3.3013422162 0.6406356261 -0.5040376965
C -4.1096791736 0.8234003742 -1.6680676916
C -4.6626401523 -0.3062083604 -2.3236940727
C -4.4606922157 -1.5470011386 -1.8015070872
C -2.9307805753 1.8196533529 0.1749491719
C -3.2312014558 3.0802984681 -0.2905209665
C -3.9531520386 3.245588434 -1.4871182571
C -4.3979510418 2.1266691275 -2.1485362094
C -0.9471529895 -2.6930987762 2.542215832
C -2.9036815606 -3.2965721594 1.1258878503
H -1.7311464233 1.6124131001 2.8321454341
H -0.5600559281 3.6756813001 3.5123752849
H 1.7044756437 4.1912218155 2.6200991174
H 2.8667206538 2.5467814834 1.1433268008
H -0.9000249624 -3.0280573939 0.423594109
H -5.2742711467 -0.1632895532 -3.2175965063
H -4.9241139752 -2.4208138857 -2.2661671714
H -2.4265618401 1.7346465091 1.1199395349
H -2.9127308328 3.950847922 0.2873161391
H -4.1814371084 4.2440749853 -1.8651930683
H -5.0009742538 2.2208875478 -3.0550790673
H -1.5444574884 -2.1584886746 3.2979303809
H 0.078873237 -2.3115107372 2.5800302224
H -0.9143481711 -3.7559154358 2.8263462952
H -3.5998121688 -2.8641054656 1.8662208091
H -2.7372511632 -4.345555165 1.4126590289
C -3.4906557444 -3.1977091542 -0.2547157345
H -4.4824110304 -3.6726633387 -0.315637589
H -2.8468399215 -3.7321063014 -0.9768280937
C 2.943753406 0.0080851743 -0.1415601904
C 3.8105456642 -1.015177792 0.2330247065
C 3.3619282144 0.9421152864 -1.0981241272
C 5.0816347831 -1.1119259645 -0.3335808027
H 3.4842996547 -1.7564192269 0.9620385831
C 4.6308514439 0.8650057148 -1.6493604544
H 2.6780612862 1.7346780553 -1.4093282596
C 5.5033231229 -0.1667527987 -1.2743383389
H 5.7326879415 -1.9298869842 -0.0255924292
H 4.9699372154 1.58916599 -2.3916322012
O 6.7145626482 -0.1688002197 -1.8697563523
C 7.6301826424 -1.1781422539 -1.5453711192
H 7.2422459283 -2.1806485103 -1.7976686223
H 8.5322073233 -0.9878886774 -2.1396234947
H 7.8989778833 -1.1599987998 -0.4744850088