58
 Sum of electronic and thermal Free Energies=        -1361.594999
C -2.0255333039 -0.7551740457 0.6127444887
C -0.7041165015 -0.8083514926 0.163026364
C 0.4709888677 0.0850842861 0.4363040736
N 1.5874899022 -0.5208876391 -0.140641437
C 1.2600719182 -1.7558764319 -0.6831711821
C -0.1108235111 -2.0063287363 -0.4685010436
C 2.0931842417 -2.6425865028 -1.3577250943
C 1.5301443297 -3.810672013 -1.8689996508
C 0.1618763632 -4.0553566753 -1.7335092681
C -0.6572002927 -3.1550349886 -1.0536566432
C -2.4779184807 -2.0397308622 1.3394295578
C -3.9092115152 -1.9765406405 1.8429518864
C -4.3662541766 -0.2402124285 0.1541632959
C -3.0677029275 0.2724349208 0.3270920273
C -5.3484737438 0.4722649327 -0.5797861762
C -5.0891674863 1.6954058875 -1.1225926468
C -3.8452315272 2.3280706622 -0.8672452843
C -2.8489386993 1.6487721005 -0.1009275895
C -3.6157092634 3.6480199129 -1.3315742833
C -2.4573036311 4.3172712995 -1.0173548133
C -1.5072129584 3.6836228234 -0.1944195298
C -1.7054024909 2.3947943497 0.2544215739
O 0.5857184034 1.0266717048 1.1974114716
C -1.514071147 -2.3309824394 2.4990917536
H 3.1542491761 -2.4222087963 -1.4821386535
H 2.16353762 -4.528539851 -2.3943626268
H -0.2758665763 -4.9562191621 -2.167756839
H -1.726246115 -3.3610974285 -1.0021934099
H -2.4351135659 -2.8901644606 0.6479569681
H -4.1962411056 -2.9545738735 2.2579910445
H -3.9962322341 -1.237307067 2.6576649071
H -6.3250833144 0.0031231583 -0.7221982735
H -5.8433786531 2.2166196583 -1.7171479616
H -4.3922164662 4.1299233817 -1.9310190035
H -2.2895216697 5.3350605712 -1.3759377883
H -0.6033566193 4.2160891337 0.1100137377
H -0.9691263155 1.9583438067 0.9223357455
H -0.5030300598 -2.565121649 2.1411150837
H -1.4459736759 -1.4632460174 3.173302628
H -1.8795446678 -3.1900891627 3.0822072418
C -4.7984567917 -1.5765199917 0.6939345395
H -5.8549077765 -1.5108397334 0.995217699
H -4.7524138273 -2.3393761419 -0.1054423559
C 2.898049306 0.017072963 -0.0559213597
C 3.5062500377 0.2265209195 1.1872168917
C 3.5906787091 0.3435480305 -1.2179165522
C 4.7872633193 0.7486186783 1.2566707386
H 2.9573397966 -0.010518423 2.0987730512
C 4.8888229266 0.8528813531 -1.1585200343
H 3.1084115083 0.19858634 -2.1869259111
C 5.4935713852 1.0611576615 0.0853791134
H 5.2740380136 0.9245988687 2.2171073779
H 5.4065410906 1.0928683349 -2.0869973396
O 6.7375590247 1.5548063384 0.2550572015
C 7.4923269034 1.9021781799 -0.872688447
H 8.4537186623 2.2800015576 -0.5040932472
H 7.6790658697 1.0316256718 -1.5259295847
H 7.0024982056 2.6939994169 -1.4661801023