55
 Sum of electronic and thermal Free Energies=        -1339.359627
C -1.9359695347 -0.7050264178 0.5788598284
C -0.5948547251 -0.7768477212 0.1815848991
C 0.5798465936 0.0663409197 0.5479413445
N 1.7170483588 -0.5633817662 0.0174958401
C 1.3793913958 -1.7711592899 -0.5881760686
C -0.0096260773 -1.9709590904 -0.4581155933
C 2.211634843 -2.6826987928 -1.2305673763
C 1.6299980452 -3.8124226311 -1.8041550474
C 0.2467369937 -3.9972692088 -1.7599930431
C -0.5709901829 -3.0781626055 -1.1054568157
C -2.4338630898 -1.9867804874 1.2770824546
C -3.8946525494 -1.9289495452 1.6873890431
C -4.236786947 -0.1473136231 0.0194787067
C -2.9414317101 0.3444905685 0.2704111484
C -5.171002799 0.5984466167 -0.7423953909
C -4.8673680787 1.8321919358 -1.2373417202
C -3.6271468187 2.4384824937 -0.9101326568
C -2.6779115177 1.7248657316 -0.1165089846
C -3.3551375723 3.7639184643 -1.3333884151
C -2.1989007531 4.403604405 -0.9555212312
C -1.2955063528 3.7334733358 -0.1094723481
C -1.5359861103 2.4391073586 0.3022567526
O 0.6810544321 0.9903266428 1.3325594489
C -1.541278369 -2.2608965157 2.4973510534
H 3.2887763606 -2.5212697921 -1.2829633037
H 2.2636467725 -4.5462395441 -2.3062112744
H -0.2023314599 -4.8656722514 -2.2455060062
H -1.6501608798 -3.2324265489 -1.1213550081
H -2.3344769274 -2.8408796051 0.5964524471
H -4.2117122952 -2.9147073435 2.0597407459
H -4.0317325771 -1.2086317066 2.5119959825
H -6.1457963004 0.1489167888 -0.9460323775
H -5.5851386882 2.3805525405 -1.8522125406
H -4.0961956082 4.2737523702 -1.9540489046
H -1.9974266958 5.4256149423 -1.2830226724
H -0.3954552986 4.2421904154 0.2429472734
H -0.8371642161 1.9746245751 0.9909356776
H -0.5109662201 -2.4989272954 2.2017086861
H -1.5130039916 -1.3848388427 3.1636286217
H -1.9416522761 -3.1124088361 3.0683215574
C -4.7067037815 -1.4954044229 0.493927971
H -5.7802956374 -1.4345296713 0.7270476881
H -4.6097011389 -2.2357060444 -0.3219813734
C 3.0216815074 -0.0392003588 0.1473041754
C 3.5144651109 0.3380791685 1.4007957373
C 3.8200854994 0.1165181879 -0.9913674727
C 4.7981265407 0.8555650527 1.5137153694
H 2.88000304 0.2356940735 2.2795134946
C 5.1099850268 0.6186695314 -0.8791729207
H 3.418227616 -0.1475011406 -1.9708455279
C 5.6067054217 0.9919017364 0.3768432139
H 5.1842408796 1.1512216293 2.4903601522
H 5.7327576792 0.7379104944 -1.7670055816
C 6.9407086539 1.5171674 0.4972497041
N 8.0146664094 1.9378287198 0.5929296379