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

benzenesulfenic acid   2131 Benzenesulfenic acid

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    #  Species Formula
  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
  2127 Dimethyl sulfoxideC2H6OS
  2128 Dimethyl sulfoxide (Geo)C2H6OS
  2129 S-EthylthioacetateC4H8OS
  2130 Diethyl sulfoxideC4H10OS
  2131 Benzenesulfenic acid C6H6OS
  2132 Dipropyl sulfoxideC6H14OS
  2133 PhenoxathiinC12H8OS
  2134 Diphenyl sulfoxideC12H10OS
  2135 ThioxanthoneC13H8OS
  2136 Bis-diethylamine sulfoxideC8H20N2OS
  2137 Sulfur dioxide (Geo)O2S
  2138 Sulfur dioxideO2S
  2139 S(OH)2H2O2S
  2140 Dimethyl sulfoneC2H6O2S
  2141 Dimethyl sulfone (Geo)C2H6O2S


ΔHf: -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