45
 Sum of electronic and thermal Free Energies=        -1108.626594
C -0.9258284334 -0.6717800185 -0.183271319
C 0.3686382798 -1.1122569706 -0.4698991461
C -1.780974995 0.4729992136 -0.4933956099
C -2.8752970378 0.4593048308 0.404385313
N -2.7443923626 -0.6314295403 1.2379744947
C -1.7321182097 -1.4846253173 0.8130605046
C -1.8900958705 1.2924589567 -1.6242306175
C -2.9341228854 2.2046834372 -1.7364747497
C -3.9275804917 2.2694903716 -0.7469625342
C -3.9237929587 1.3614071376 0.3237464365
O -1.5535018681 -2.5824675841 1.2936548773
C 1.6631637998 -0.3846316164 -0.292306818
C 2.7802964349 -1.1825741567 0.0134928067
C 0.4361433812 -2.6242757922 -0.7280396297
C 1.8206454138 1.0504074324 -0.0731099725
C 2.9545674411 1.5554893295 0.6329338425
C 3.9917453478 0.6683907972 1.0203188665
C 3.9190480841 -0.6448596487 0.6679228768
C 0.9217818475 2.0185617196 -0.5636568472
C 1.0534213853 3.3645512189 -0.3014990227
C 2.1285825022 3.8386731336 0.4722373494
C 3.0717613148 2.9410324652 0.9115084276
C -0.6599281927 -3.0811314117 -1.7006813405
C 1.7918018041 -3.0670750116 -1.2517970603
H -1.1720475468 1.2102657924 -2.441562097
H -2.9960754982 2.8618396306 -2.6046372764
H -4.7411267476 1.3493409731 1.0459362777
H 0.2536748031 -3.1250138256 0.2395866906
H 4.8550089904 1.0573951812 1.5653109397
H 4.7361676117 -1.3266046868 0.9156158797
H 0.1233852397 1.7020344361 -1.2096856167
H 0.3208462759 4.0624941751 -0.7130035597
H 2.2276081078 4.903427461 0.691602264
H 3.9440716349 3.2835030248 1.4735277003
H -0.5851815749 -2.5381574532 -2.6562338873
H -1.6682614264 -2.9364397904 -1.2978408094
H -0.5402452079 -4.1544285723 -1.9112979007
H 1.9883677907 -2.6072560709 -2.2363551363
H 1.7875880986 -4.1570116438 -1.3990992846
C 2.8524022183 -2.6568374443 -0.268114657
H 3.864797997 -2.8952218155 -0.6297846348
H 2.7242298734 -3.212092061 0.6789209591
C -4.9888616381 3.2322652125 -0.8590748929
N -5.8420027376 4.0098868291 -0.9487378601
H -3.4394902747 -0.9490762078 1.9001821738