PM7 Accuracy

n,n-(dimethyl)thiobenzamide   2119 N,N-(Dimethyl)thiobenzamide

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    #  Species Formula
  2109 Sulfur nitride (Geo)NS
  2110 Sulfur nitrideNS
  2111 Hydrogen isothiocyanateHCNS
  2112 Methyl isothiocyanate (Geo)C2H3NS
  2113 Methyl isothiocyanateC2H3NS
  2114 Methyl thiocyanateC2H3NS
  2115 EthanethioamideC2H5NS
  2116 4-MethylthiazoleC4H5NS
  2117 BenzothiazoleC7H5NS
  2118 BenzenecarbothioamideC7H8NS
  2119 N,N-(Dimethyl)thiobenzamide C9H11NS
  2120 PhenothiazineC12H9NS
  2121 ThioureaCH4N2S
  2122 TetramethylthioureaC5H12N2S
  2123 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  2124 Sulfur monoxide (triplet)OS
  2125 HOSHOS
  2126 Carbon oxysulfideCOS
  2127 Ethyne sulfenic acidC2H2OS
  2128 Thiolacetic acidC2H4OS
  2129 Dimethyl sulfoxideC2H6OS


DHf: 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