PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
phenothiazine
2118 Phenothiazine
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ΔHf: 66.5 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Phenothiazine
H=66.49 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.38940657 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39372315 +1 120.4712570 +1 0.0000000 +0 2 1 0
C 1.39360366 +1 119.9348068 +1 0.0059380 +1 3 2 1
C 1.39192748 +1 120.2826632 +1 -0.0100840 +1 4 3 2
C 1.40828501 +1 119.7563289 +1 0.0116766 +1 1 2 3
N 1.39832827 +1 117.3564919 +1 179.9800270 +1 6 1 2
C 1.39824438 +1 125.3857218 +1 -179.8547080 +1 7 6 1
C 1.40826560 +1 117.3663800 +1 179.8916422 +1 8 7 6
C 1.38945951 +1 119.7366329 +1 -179.9810331 +1 9 8 7
C 1.39367683 +1 120.4916869 +1 0.0107131 +1 10 9 8
C 1.39366454 +1 119.9299767 +1 -0.0125798 +1 11 10 9
C 1.40316614 +1 123.0256779 +1 -0.1174872 +1 8 7 6
S 1.76170896 +1 117.4760424 +1 179.9445632 +1 5 4 3
H 1.08638676 +1 119.9446617 +1 179.9946270 +1 1 2 3
H 1.09010290 +1 119.6354748 +1 -179.9985991 +1 2 1 6
H 1.08685982 +1 120.1207567 +1 -179.9897310 +1 3 2 1
H 1.09296740 +1 119.0038098 +1 179.9928355 +1 4 3 2
H 1.01435011 +1 117.2893750 +1 -0.0221410 +1 7 6 1
H 1.08635416 +1 120.3255472 +1 -0.0032005 +1 9 8 7
H 1.09012340 +1 119.6262549 +1 -179.9939325 +1 10 9 8
H 1.08682880 +1 120.1279096 +1 179.9943868 +1 11 10 9
H 1.09295753 +1 118.9899149 +1 179.9919127 +1 12 11 10