41
 Sum of electronic and thermal Free Energies=         -977.258017
C 0.095604941 -1.1545446798 0.4865129914
C -1.1558362393 -0.5882531466 0.4291354163
C -1.7081925396 0.7876662381 0.3673873514
C -2.8920014398 0.7328578281 -0.4027884045
N -3.1539067133 -0.5864360814 -0.7335252591
C -2.3115449971 -1.4583832607 -0.0649584498
C 1.4819568055 -0.7025096323 0.1308241847
C 2.168410631 -1.8246556351 -0.3268719664
C 1.4089033926 -3.0953491471 -0.1190811909
C 0.2218046449 -2.6569846617 0.7333297721
C -1.478913736 1.9701376613 1.0726660213
C -2.2711876658 3.0989070166 0.8472879369
C -3.3428007306 3.0479382893 -0.0419793147
C -3.6888266165 1.8419471079 -0.653432348
C 2.1500324008 0.5711662561 0.0505952972
C 3.4053881171 0.6515019881 -0.6314960113
C 4.0125796547 -0.5247332275 -1.1512765403
C 3.422633533 -1.7448265146 -0.9701822977
C 0.4524218888 -2.8891051748 2.233654352
O -2.5163436816 -2.6514844325 -0.0183951089
H -3.9497363321 3.938092809 -0.2199821901
H 4.9708717824 -0.4385508323 -1.6693474122
H 2.0278561273 -3.8687173323 0.3627435852
H 1.0761922478 -3.5055055652 -1.0874400473
H -0.6966404488 -3.1787977464 0.4528324939
H -0.3944870062 -2.5044347523 2.8198114616
H 1.3707426902 -2.391022459 2.584654658
H 0.5468304849 -3.9664299564 2.437081858
H -0.7323335476 2.0195781153 1.8610077871
H -2.0601163687 4.0190201871 1.3952136758
H -4.5809537848 1.7588241093 -1.2771405543
H 3.8984118403 -2.6586467654 -1.3332381908
C 1.6823578476 1.7495854741 0.6706468551
C 2.3425849745 2.9505692681 0.5635322898
C 3.5398212074 3.0398987659 -0.1773614241
C 4.0624605013 1.9052227086 -0.748202195
H 0.7911711033 1.6798824588 1.2731437325
H 1.9412410595 3.8348009513 1.0635130336
H 4.057939169 3.9962593127 -0.2725110419
H 5.0095015521 1.9462888234 -1.2920795956
H -4.0326371893 -0.9186645253 -1.1086828009