54
 Sum of electronic and thermal Free Energies=        -1247.262123
C 0.0912793431 1.1155372109 -0.1183694947
C -0.9450107183 0.2729528922 0.1683374654
C -0.8310628699 -0.8952506915 1.1131989884
N -2.0952687176 -1.4962415277 1.1484353856
C -2.9942804193 -0.8105855949 0.3295532472
C -2.348638728 0.2940249305 -0.2670356555
C -4.3330386311 -1.0999897983 0.0919019904
C -5.0350473403 -0.2824618256 -0.7962739106
C -4.4067013442 0.786377041 -1.434627171
C -3.0660801346 1.0764115807 -1.1736480629
C -0.1700081115 2.5541648138 -0.5776049849
C 1.1293590615 3.3702480097 -0.6355194238
C 2.4120883062 1.6378190944 0.5231238808
C 1.5001163824 0.6975008187 0.0545802911
C 3.737723331 1.2571760558 0.8375562998
C 4.163635416 -0.0277312226 0.633357378
C 3.3114661781 -0.9812067344 0.0157283804
C 1.9736380755 -0.6168249018 -0.3131249468
C 3.7928695546 -2.27836599 -0.3100221312
C 3.0047119256 -3.1752589633 -0.9845647641
C 1.701839102 -2.7945788121 -1.378437437
C 1.2034442708 -1.5570142744 -1.051936891
O 0.1001641996 -1.2429985965 1.7967801121
C -1.1684885378 3.2778719788 0.342897284
H -4.8207570651 -1.9412124138 0.5855139907
H -6.0886891389 -0.490565161 -0.9941888072
H -4.9654025033 1.4066947544 -2.1377530987
H -2.5966133071 1.9197731142 -1.6795988659
H -0.5944980342 2.508972304 -1.5957698178
H 1.7078836623 3.1176596865 -1.5380769399
H 0.8790922415 4.4398380625 -0.7007199666
H 4.4198625831 2.0063878272 1.2470379991
H 5.1821787835 -0.3227522292 0.8976337406
H 4.8144910667 -2.5417457906 -0.0246901498
H 3.3844147572 -4.1679111497 -1.2349495989
H 1.0849012681 -3.4893201864 -1.9525190354
H 0.1990939208 -1.2889622219 -1.3795241722
H -2.0986614372 2.7202898424 0.496135322
H -1.4262717886 4.2598110904 -0.0814802455
H -0.7247528796 3.4465774339 1.3353342256
C 1.9942979287 3.0810371521 0.5910524593
H 1.4366390605 3.297591127 1.5181373946
H 2.8854684765 3.7252896227 0.6068582724
C -2.3770008345 -2.6701689095 1.8904940583
C -2.1079842843 -2.7138140278 3.2602626004
C -2.9024253969 -3.7935740557 1.2456352717
C -2.373350951 -3.8765154811 3.979182047
H -1.67874883 -1.839956063 3.750217641
C -3.1828206866 -4.9464696499 1.9750174849
H -3.0825247664 -3.7606905729 0.1692119184
C -2.9176798177 -4.9915795852 3.3430598769
H -2.1559038882 -3.9086819582 5.0488256662
H -3.5978992688 -5.8194545884 1.4668339017
H -3.1299105343 -5.898676446 3.9127278577