PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diphenyl sulfoxide
2134 Diphenyl sulfoxide
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ΔHf: 25.6 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
Diphenyl sulfoxide
H=25.6 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39451748 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39366772 +1 119.9499029 +1 0.0000000 +0 2 1 0
C 1.39430793 +1 120.0434892 +1 -0.5035674 +1 3 2 1
C 1.39442122 +1 120.1182714 +1 0.2658049 +1 4 3 2
C 1.39067521 +1 119.6761808 +1 0.0069404 +1 1 2 3
S 1.79974898 +1 119.7535624 +1 179.0838274 +1 6 1 2
O 1.48598775 +1 105.8425180 +1 -10.5931880 +1 7 6 1
C 1.80123409 +1 96.8281931 +1 97.6008314 +1 7 6 1
C 1.39084364 +1 120.1013295 +1 73.0279134 +1 9 7 6
C 1.39081047 +1 119.2516285 +1 -108.7845902 +1 9 7 6
C 1.39461853 +1 119.7092578 +1 -178.4282667 +1 11 9 7
C 1.39357461 +1 119.9816741 +1 -0.0598486 +1 12 11 9
C 1.39433833 +1 119.5840990 +1 178.5833609 +1 10 9 7
H 1.09633771 +1 119.6768256 +1 179.7425215 +1 1 2 3
H 1.08859787 +1 119.9391962 +1 179.8012404 +1 2 1 6
H 1.08864885 +1 119.9851983 +1 179.5424260 +1 3 2 1
H 1.08757203 +1 119.9590647 +1 -179.6808261 +1 4 3 2
H 1.08965816 +1 119.0338648 +1 -179.3782866 +1 5 4 3
H 1.08975337 +1 121.4889823 +1 -1.6966129 +1 10 9 7
H 1.09699559 +1 120.7196759 +1 1.6364718 +1 11 9 7
H 1.08848916 +1 119.8811209 +1 -179.9087711 +1 12 11 9
H 1.08847765 +1 120.0147562 +1 -179.7303500 +1 13 12 11
H 1.08756687 +1 119.9162094 +1 179.6247309 +1 14 10 9