PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(ch3o)3so
2184 (CH3O)3SO
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ΔHf: -164.1 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
(CH3O)3SO
HR=WHSMC03 H=-164.1
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.65488361 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.45957768 +1 108.7511332 +1 0.0000000 +0 1 2 0
O 1.65513235 +1 110.3371019 +1 -119.0357601 +1 1 2 3
O 1.65501585 +1 110.1815258 +1 -122.0756555 +1 1 2 4
C 1.40698276 +1 123.9803281 +1 0.2215825 +1 2 1 3
C 1.40686330 +1 123.9905201 +1 -119.4079373 +1 5 1 2
C 1.40691203 +1 123.9848324 +1 120.1071923 +1 4 1 2
H 1.09631923 +1 113.5787083 +1 -0.6191171 +1 6 2 1
H 1.09820010 +1 106.0014532 +1 121.3104872 +1 6 2 9
H 1.09817719 +1 105.9143332 +1 117.4533895 +1 6 2 10
H 1.09634336 +1 113.5933075 +1 -0.5008040 +1 7 5 1
H 1.09821631 +1 105.9890481 +1 121.2892317 +1 7 5 12
H 1.09815455 +1 105.9211088 +1 117.4440357 +1 7 5 13
H 1.09827686 +1 105.8636548 +1 -122.4088027 +1 8 4 1
H 1.09630037 +1 113.5952765 +1 121.1815420 +1 8 4 15
H 1.09811672 +1 106.0388344 +1 121.3598251 +1 8 4 16