55
 Sum of electronic and thermal Free Energies=        -1339.402041
C 0.0827371903 1.1159699089 -0.1233177543
C -0.9582849523 0.2803744657 0.1728471343
C -0.8497269485 -0.8674631594 1.13590781
N -2.1181937662 -1.472488853 1.1742029551
C -3.0145065916 -0.7940911742 0.340291531
C -2.3597670695 0.2977090908 -0.2686807658
C -4.3574751718 -1.069951007 0.110917173
C -5.0527128798 -0.2580917011 -0.7877779976
C -4.4135152207 0.7937571937 -1.4424363779
C -3.0706930566 1.0749091462 -1.1850493424
C -0.1737792793 2.5475996569 -0.6042260697
C 1.1281041107 3.3579323574 -0.67607532
C 2.4012526794 1.6423271593 0.5183841747
C 1.4883046845 0.6965402191 0.0615866695
C 3.7219977932 1.2609320645 0.8515523944
C 4.142309175 -0.0301902785 0.6765838211
C 3.2908643763 -0.9916148804 0.0702006404
C 1.9580695325 -0.6271082858 -0.277592724
C 3.7686052205 -2.2971616494 -0.2258848052
C 2.9819398157 -3.2030404828 -0.8901533729
C 1.6850838378 -2.8232352964 -1.3038679956
C 1.1900367079 -1.5770066004 -1.0059335225
O 0.0752887002 -1.2077796283 1.8308472908
C -1.1702143778 3.2876102428 0.3056655257
H -4.8599774235 -1.892517304 0.6204280611
H -6.1091520812 -0.4570421229 -0.9791644258
H -4.9662138993 1.4096383003 -2.1540132385
H -2.5941857992 1.9079271649 -1.7009588044
H -0.5987594071 2.486899424 -1.6213495317
H 1.7061232 3.0866785208 -1.5734628474
H 0.8814571828 4.4268469616 -0.7612481691
H 4.4048765975 2.0143266675 1.2517924604
H 5.1569116355 -0.3250605153 0.9556170926
H 4.7862472521 -2.5600979911 0.0734765366
H 3.3587480019 -4.202110077 -1.117996537
H 1.0707598124 -3.5253762181 -1.8717163177
H 0.1908265468 -1.3097555362 -1.3497195294
H -2.1009100773 2.7337024773 0.4691809657
H -1.4271923099 4.2626955332 -0.1343722148
H -0.7248797641 3.472152684 1.2945029848
C 1.9907167404 3.0886756261 0.5563105607
H 1.434704709 3.3272351389 1.4789490352
H 2.8854946031 3.7279472364 0.55945055
C -2.3838796385 -2.6504583528 1.9027878845
C -2.0003852352 -2.7465725232 3.2447319591
C -3.0022077539 -3.7389577586 1.2762555895
C -2.2458718395 -3.9141934653 3.9547917757
H -1.4976802235 -1.9067813789 3.7218062745
C -3.2635878314 -4.9014651958 1.9889715713
H -3.2661730267 -3.6762448119 0.2195599333
C -2.8866153976 -4.9959316409 3.3353423152
H -1.9460483602 -3.9901448304 5.0010087051
H -3.7476618447 -5.7481646746 1.4999691267
C -3.1524788715 -6.2004445405 4.0755151817
N -3.3690961771 -7.1696750062 4.6698351698