58
 Sum of electronic and thermal Free Energies=        -1361.643530
C -0.0001182347 1.0016242629 0.1101858754
C -1.0903722085 0.1970524816 -0.0049566135
C -1.1234348724 -1.0365824783 -0.871226576
N -2.4559947128 -1.4605716757 -0.8928629895
C -3.25545266 -0.637959075 -0.0973000939
C -2.4705028055 0.3878001104 0.4711274648
C -4.6181908655 -0.7508398218 0.1523034896
C -5.2030753059 0.1652273643 1.0294663984
C -4.4364748308 1.1498962213 1.6515848846
C -3.0701997484 1.2597942493 1.3805549165
C -0.1217575484 2.4685769545 0.4634004932
C 0.2778778781 3.2143387753 -0.824048836
C 2.1582640075 1.486503207 -0.97299828
C 1.3775160751 0.5909891558 -0.2547684089
C 3.4643797795 1.1157536682 -1.3859288294
C 3.9956776965 -0.0967661033 -1.0464184007
C 3.2723194566 -0.9944615084 -0.215310793
C 1.9577379129 -0.6471732291 0.2069658865
C 3.8550271416 -2.2152021318 0.2186680691
C 3.1840838508 -3.0520279778 1.0743795426
C 1.9008136233 -2.6872079663 1.5400732046
C 1.3068577441 -1.5226304759 1.1179377332
O -0.2385908419 -1.5542961244 -1.5079926117
C 0.6898819538 2.8788585937 1.6926880885
H -5.2103536179 -1.5358483707 -0.3196541894
H -6.2726382079 0.09567172 1.2391838285
H -4.9028639911 1.8388693356 2.3581602916
H -2.4857030822 2.0189448872 1.900747358
H -1.174053175 2.7120539346 0.6419841012
H -0.4421970588 2.9338256067 -1.6087562039
H 0.1687896934 4.2996252611 -0.6693394484
H 4.0439074287 1.8205806883 -1.9881704743
H 4.9962742884 -0.3784293823 -1.3837625976
H 4.8578981321 -2.4692517776 -0.1338838283
H 3.6413319793 -3.9863907095 1.4065105464
H 1.3751324969 -3.3366223543 2.2434457276
H 0.3194006621 -1.2622469039 1.4982773706
H 0.3341639582 2.3491939926 2.5892554857
H 1.7590622308 2.6472313185 1.575337743
H 0.5914071547 3.9602048147 1.8741854374
C 1.6971616192 2.8916439742 -1.2847373145
H 2.4144670453 3.5735233123 -0.7947180106
H 1.7995609288 3.0880862616 -2.3641104272
C -2.8941254332 -2.6160601665 -1.5880557676
C -2.6838906474 -2.7352634682 -2.9585374927
C -3.5172314701 -3.6629551831 -0.8977819035
C -3.0923926536 -3.8787030329 -3.6445504809
H -2.1797527065 -1.9310083206 -3.4951106979
C -3.9454716665 -4.793824416 -1.5748534564
H -3.6619019799 -3.5853479626 0.1817949283
C -3.7341890691 -4.9136565571 -2.9560856422
H -2.9046622717 -3.9453315838 -4.7159758034
H -4.4366526047 -5.6151524643 -1.0509292275
O -4.175683076 -6.0525276811 -3.5289416034
C -3.9818955529 -6.2427521052 -4.9035370564
H -2.9105881691 -6.2424049948 -5.1704373546
H -4.4074407847 -7.2234404802 -5.1485852475
H -4.4980974647 -5.4711519392 -5.5013442746