PM7 Accuracy

benzenesulfenic acid   2133 Benzenesulfenic acid

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    #  Species Formula
  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
  2130 Dimethyl sulfoxide (Geo)C2H6OS
  2131 S-EthylthioacetateC4H8OS
  2132 Diethyl sulfoxideC4H10OS
  2133 Benzenesulfenic acid C6H6OS
  2134 Dipropyl sulfoxideC6H14OS
  2135 PhenoxathiinC12H8OS
  2136 Diphenyl sulfoxideC12H10OS
  2137 ThioxanthoneC13H8OS
  2138 Bis-diethylamine sulfoxideC8H20N2OS
  2139 Sulfur dioxide (Geo)O2S
  2140 Sulfur dioxideO2S
  2141 S(OH)2H2O2S
  2142 Dimethyl sulfoneC2H6O2S
  2143 Dimethyl sulfone (Geo)C2H6O2S


DHf: -8.1 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
Benzenesulfenic acid
 H=-8.1 HR=NIST
  C    -0.16743862  1   0.08624856  1  -0.24211969  1
  C     1.21681732  1   0.00048650  1  -0.10097215  1
  C     1.98823673  1   1.16005498  1  -0.14933538  1
  C     1.37737331  1   2.40007781  1  -0.32780316  1
  C    -0.00841298  1   2.48057099  1  -0.45595428  1
  C    -0.78597820  1   1.32471481  1  -0.41742550  1
  S    -1.18557593  1  -1.35110473  1  -0.18643640  1
  O    -0.04833908  1  -2.57583042  1  -0.39771842  1
  H     1.70627344  1  -0.96395093  1   0.05561078  1
  H     3.07028983  1   1.09597300  1  -0.04367194  1
  H     1.98238867  1   3.30395386  1  -0.36748672  1
  H    -0.48618679  1   3.44973825  1  -0.58966954  1
  H    -1.86705946  1   1.40939728  1  -0.52717066  1
  H     0.06429941  1  -2.78666529  1  -1.34591413  1