54
 Sum of electronic and thermal Free Energies=        -1247.268299
C 0.0319755621 1.0046296431 0.0985979404
C -1.0194642913 0.165143682 -0.1010732314
C -0.9518231275 -1.0501623751 -0.9884651894
N -2.264332273 -1.5259336543 -1.0984140418
C -3.1425977016 -0.7475461782 -0.3397108325
C -2.4322893671 0.2963321297 0.2904765256
C -4.5140425134 -0.9086281137 -0.1795757432
C -5.1845046257 -0.0274376372 0.6715948707
C -4.4933877641 0.9716084421 1.3558000321
C -3.1178901789 1.1324531775 1.1726154837
C -0.1647480708 2.459644592 0.4664566472
C 0.2972864565 3.2426430791 -0.7773201381
C 2.2410404081 1.5812938134 -0.8261824601
C 1.4439101222 0.6467549801 -0.1790440991
C 3.583313574 1.2606335624 -1.1567860523
C 4.1301740885 0.0585423076 -0.8050369297
C 3.3830104011 -0.8785824997 -0.041211136
C 2.0326817583 -0.5815653535 0.2984052073
C 3.9752563755 -2.0892740548 0.4077994643
C 3.2768541899 -2.9643433389 1.200981385
C 1.9545836289 -2.6493796491 1.5869548972
C 1.3521863279 -1.4954722874 1.1478763554
O -0.0102562679 -1.5225635096 -1.5766295959
C 0.5441022048 2.8732787122 1.7566508564
H -5.0500901627 -1.7027599817 -0.700373973
H -6.2622084212 -0.1362422178 0.8108958744
H -5.0268832158 1.6324922293 2.0413662719
H -2.5937421421 1.9029142127 1.7383601138
H -1.2348258433 2.6643019584 0.5743814113
H -0.3560366683 2.9529517917 -1.6153057658
H 0.1394691218 4.3204011225 -0.6125484007
H 4.1781881421 1.9956660231 -1.7055293192
H 5.1595908173 -0.1844772625 -1.0799076705
H 5.0069482857 -2.3044039538 0.1181531165
H 3.7413165304 -3.8907460536 1.5450963964
H 1.4051700898 -3.3291122125 2.2418619805
H 0.3340132999 -1.2739102412 1.4669237867
H 0.1444728673 2.3155998783 2.6170156498
H 1.62611452 2.6790571357 1.7117668046
H 0.3963356222 3.9472068091 1.9483290786
C 1.7554396836 2.9770068241 -1.1423698321
H 2.4127656794 3.6709580596 -0.5892036439
H 1.9267267643 3.2004355767 -2.2076230481
C -2.6082736599 -2.6887039507 -1.8321581668
C -2.2532756469 -2.7941486674 -3.1788605825
C -3.281070708 -3.7401347523 -1.2030534063
C -2.5805158791 -3.9447544691 -3.8915099615
H -1.7092554306 -1.9782363644 -3.6548422809
C -3.62153885 -4.8800605691 -1.9274026174
H -3.5289104743 -3.6630934105 -0.1425249951
C -3.271308412 -4.9860587287 -3.2726825256
H -2.2957296283 -4.0254828541 -4.942619272
H -4.1516620929 -5.6961739325 -1.4318666802
H -3.5313810648 -5.8836049389 -3.8375997888