PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n,n-(dimethyl)thiobenzamide
2117 N,N-(Dimethyl)thiobenzamide
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ΔHf: 32.5 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
N,N-(Dimethyl)thiobenzamide
H=32.53 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39418930 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39271234 +1 120.0731198 +1 0.0000000 +0 2 1 0
C 1.39628699 +1 119.5597719 +1 0.1867683 +1 3 2 1
C 1.39612539 +1 120.5530605 +1 -0.5220434 +1 4 3 2
C 1.39279491 +1 119.5510218 +1 0.5321227 +1 5 4 3
C 1.47832688 +1 119.6605342 +1 -177.4592345 +1 4 3 5
S 1.66510119 +1 117.7797603 +1 91.9374318 +1 7 4 3
N 1.34280594 +1 118.8141557 +1 179.4279631 +1 7 4 8
C 1.46426633 +1 122.9766194 +1 1.9017736 +1 9 7 4
C 1.46546072 +1 121.4890225 +1 176.4445216 +1 9 7 10
H 1.08852124 +1 119.9040788 +1 179.8023156 +1 1 2 3
H 1.08866676 +1 120.0686720 +1 -179.5367126 +1 2 1 3
H 1.08933090 +1 120.2624297 +1 -179.0509917 +1 3 2 4
H 1.08980003 +1 120.1892599 +1 -179.0878787 +1 5 4 6
H 1.08876067 +1 119.8362592 +1 -179.7193824 +1 6 5 4
H 1.10554230 +1 112.1175765 +1 -13.7318627 +1 10 9 7
H 1.10555032 +1 110.6382502 +1 120.2349631 +1 10 9 17
H 1.10529483 +1 110.4876219 +1 120.4967093 +1 10 9 18
H 1.10935180 +1 111.1108697 +1 -55.8321125 +1 11 9 7
H 1.10929197 +1 110.6638916 +1 119.1279068 +1 11 9 20
H 1.10082314 +1 111.3477862 +1 120.3827695 +1 11 9 21