PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethyl phenyl sulfide
2103 Ethyl phenyl sulfide
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ΔHf: 18.4 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
Ethyl phenyl sulfide
H=18.4 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39285399 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39519044 +1 119.7222851 +1 0.0000000 +0 2 1 0
C 1.39235152 +1 120.3085762 +1 0.0049332 +1 3 2 1
C 1.39482498 +1 119.7576452 +1 -0.0108124 +1 4 3 2
C 1.39205689 +1 120.2872840 +1 0.0015425 +1 5 4 3
S 1.76907614 +1 124.0212791 +1 179.9986773 +1 1 2 3
C 1.84094741 +1 105.3654710 +1 -0.0715382 +1 7 1 2
C 1.51951776 +1 108.2185156 +1 179.9748648 +1 8 7 1
H 1.08777121 +1 121.6564184 +1 179.9956215 +1 2 1 3
H 1.08881118 +1 119.6901770 +1 179.9965094 +1 3 2 4
H 1.08759535 +1 120.1766979 +1 -179.9962235 +1 4 3 5
H 1.08896245 +1 119.9059684 +1 -179.9961515 +1 5 4 6
H 1.09097172 +1 119.0926191 +1 -179.9918952 +1 6 5 4
H 1.10567303 +1 109.8635725 +1 -120.9595602 +1 8 7 9
H 1.10537180 +1 109.9346885 +1 -117.9791640 +1 8 7 15
H 1.09905288 +1 112.5735398 +1 -60.0580725 +1 9 8 7
H 1.09899664 +1 112.5352769 +1 121.5036638 +1 9 8 17
H 1.09927542 +1 110.5876380 +1 119.2332989 +1 9 8 18