41
 Sum of electronic and thermal Free Energies=         -977.287158
C 1.0257661391 0.0914221892 -0.0557455431
C -0.0188572037 0.9614070417 -0.0256073556
C 0.1429639775 2.4732757872 -0.0208853114
C -1.0020579967 2.9185904505 -0.9612502994
C -2.0242772864 1.8292261751 -0.7866078257
C -1.4620116034 0.7119805368 -0.1848745875
C 2.4577370378 0.3617397262 0.1595087077
C 3.1610995329 -0.8159485732 -0.1789735505
N 2.2568909023 -1.7789927961 -0.5983190067
C 0.9481840718 -1.323869674 -0.5661415939
C -3.388968301 1.8677347849 -1.1354562324
C -4.1854380901 0.7939963658 -0.8195661721
C -3.674381961 -0.3194940893 -0.0945192438
C -2.2920108874 -0.3654745296 0.257622818
C -4.5343526877 -1.3692232575 0.3300736282
C -4.0609501732 -2.3911547851 1.114235282
C -2.7057739826 -2.3982095922 1.5205185736
C -1.843870474 -1.4153225427 1.099855812
C 3.1781636709 1.4486280332 0.6542959157
C 4.5691929346 1.3635242148 0.7692674173
C 5.2417657004 0.1968772505 0.4079283061
C 4.5411413599 -0.9155603698 -0.0661640392
O -0.0027023984 -1.959329613 -0.9588541166
C -0.0132520297 3.0671325762 1.3833121692
H 1.1206063014 2.755949176 -0.4348325328
H -0.6474320358 2.9600729244 -2.0048220565
H -1.4017744383 3.9134317863 -0.7105301941
H -3.8042025354 2.7418793709 -1.641972475
H -5.2458940688 0.7996653666 -1.0846024003
H -5.5866173562 -1.3371009921 0.0364420602
H -4.7309932058 -3.1886456768 1.4423389476
H -2.3421168067 -3.1937090884 2.1743275291
H -0.8067153583 -1.4244977232 1.431713061
H 2.6748027162 2.3635271964 0.9654362924
H 5.1305260816 2.2182283222 1.151164338
H 6.3284105355 0.1445477477 0.503725493
H 5.0617308072 -1.8362182476 -0.3366055822
H 0.1123319846 4.1600773347 1.3563761906
H 0.7283233223 2.6513290486 2.0810521587
H -1.0127841441 2.8453598992 1.7881201442
H 2.4915579792 -2.6922084445 -0.9616266157