55
 Sum of electronic and thermal Free Energies=        -1339.408642
C 0.025724869 1.006505029 0.0994681304
C -1.0295957637 0.1717338716 -0.1075269379
C -0.9665342967 -1.0258280962 -1.0122516643
N -2.2842567852 -1.5032209379 -1.1234437917
C -3.1594613648 -0.7304828656 -0.3492497791
C -2.4402067898 0.2999167991 0.2917527529
C -4.5331585076 -0.8770520798 -0.1951729046
C -5.1959872452 -0.001093434 0.6673008325
C -4.494770255 0.979721863 1.3667306181
C -3.1183339033 1.1305049411 1.1851366315
C -0.1659309841 2.4564897662 0.4876522909
C 0.2956166561 3.254596451 -0.7469147715
C 2.2325129021 1.5875315459 -0.8255081349
C 1.434533467 0.647044206 -0.187323199
C 3.5707031336 1.2646578436 -1.1695194655
C 4.1126508567 0.054164941 -0.8394937562
C 3.365680994 -0.890373303 -0.0846693384
C 2.0194060575 -0.5913946414 0.2689040417
C 3.95482301 -2.1105449509 0.3419839133
C 3.2576569715 -2.9936518062 1.1273127836
C 1.9402908514 -2.6771124565 1.5281954762
C 1.3406731936 -1.513593488 1.1107296283
O -0.0308366528 -1.493764092 -1.6121753381
C 0.5480871307 2.8495975497 1.7814655418
H -5.0823718697 -1.6516437071 -0.7310745409
H -6.2751443987 -0.0995111337 0.8016083945
H -5.0218024794 1.6360331224 2.0615024409
H -2.5872584604 1.8890479395 1.7600857273
H -1.2348936801 2.6637178307 0.6007726864
H -0.3604527499 2.9788648148 -1.5875151599
H 0.1409912068 4.3301496433 -0.5663641363
H 4.1662471325 2.0043374368 -1.7110623708
H 5.1387501576 -0.1904070494 -1.1249792972
H 4.9832391432 -2.3266774223 0.041894155
H 3.7196190265 -3.9273400063 1.4544373906
H 1.3928742842 -3.3629259292 2.178422746
H 0.3267692334 -1.2912479041 1.4428141238
H 0.1499990752 2.2808521259 2.6352454532
H 1.6294473309 2.6536591072 1.730210736
H 0.4032090388 3.9209366795 1.988536819
C 1.7519197403 2.9897144487 -1.1187232597
H 2.4129640289 3.6720220533 -0.5556898884
H 1.9224184425 3.2294478482 -2.1804577122
C -2.6162899132 -2.6704673468 -1.8428002158
C -2.1655157233 -2.8334522056 -3.157060834
C -3.368963549 -3.6821956737 -1.2351605592
C -2.4768501519 -3.989621703 -3.859765832
H -1.5600221983 -2.0548897266 -3.6186592733
C -3.6955420614 -4.8322130605 -1.9414725751
H -3.6875961042 -3.5710700215 -0.1977275041
C -3.2511567836 -4.9926687851 -3.2606798903
H -2.1247526634 -4.1175168101 -4.8844094632
H -4.2844350938 -5.6188666561 -1.4674463209
C -3.5852280687 -6.1843022214 -3.994109428
N -3.8569348971 -7.1426400335 -4.5834364916