PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

benzenecarbothioamide   2116 Benzenecarbothioamide

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    #  Species Formula
  2106 Diphenyl sulfideC12H10S
  2107 Sulfur nitride (Geo)NS
  2108 Sulfur nitrideNS
  2109 Hydrogen isothiocyanateHCNS
  2110 Methyl isothiocyanate (Geo)C2H3NS
  2111 Methyl isothiocyanateC2H3NS
  2112 Methyl thiocyanateC2H3NS
  2113 EthanethioamideC2H5NS
  2114 4-MethylthiazoleC4H5NS
  2115 BenzothiazoleC7H5NS
  2116 Benzenecarbothioamide C7H8NS
  2117 N,N-(Dimethyl)thiobenzamideC9H11NS
  2118 PhenothiazineC12H9NS
  2119 ThioureaCH4N2S
  2120 TetramethylthioureaC5H12N2S
  2121 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  2122 Sulfur monoxide (triplet)OS
  2123 HOSHOS
  2124 Carbon oxysulfideCOS
  2125 Ethyne sulfenic acidC2H2OS
  2126 Thiolacetic acidC2H4OS


ΔHf: 35.3 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.
  
 INT PM7
Benzenecarbothioamide
 H=35.33 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39264766 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39407815 +1  120.1280675 +1    0.0000000 +0     2     1     0
  C     1.39399508 +1  120.0445208 +1    0.0877221 +1     3     2     1
  C     1.39250452 +1  120.0819753 +1   -0.0210270 +1     4     3     2
  C     1.39752277 +1  119.8323199 +1    0.0702643 +1     1     2     3
  C     1.46009366 +1  120.0383299 +1  179.6700740 +1     6     1     2
  S     1.71663904 +1  120.7015357 +1  -72.8330396 +1     7     6     1
  H     1.08819916 +1  120.2139584 +1 -179.9346788 +1     5     4     3
  N     1.35914499 +1  119.4220170 +1  107.5934960 +1     7     6     1
  H     1.08981888 +1  120.2520745 +1  179.5800582 +1     1     2     3
  H     1.33567066 +1  103.6587537 +1  -71.9238205 +1     8     7     6
  H     1.08846993 +1  119.8555103 +1 -179.8793166 +1     2     1     3
  H     1.08817047 +1  119.9776653 +1 -179.8647330 +1     3     2     1
  H     0.99785321 +1  120.3939640 +1   -8.4061905 +1    10     7     6
  H     1.08833274 +1  120.0190106 +1 -179.9753010 +1     4     3     2
  H     0.99946547 +1  121.2928496 +1 -175.3801768 +1    10     7     6