PM7 Accuracy

ethyne sulfenic acid   2127 Ethyne sulfenic acid

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    #  Species Formula
  2117 BenzothiazoleC7H5NS
  2118 BenzenecarbothioamideC7H8NS
  2119 N,N-(Dimethyl)thiobenzamideC9H11NS
  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 acid C2H2OS
  2128 Thiolacetic acidC2H4OS
  2129 Dimethyl sulfoxideC2H6OS
  2130 Dimethyl sulfoxide (Geo)C2H6OS
  2131 S-EthylthioacetateC4H8OS
  2132 Diethyl sulfoxideC4H10OS
  2133 Benzenesulfenic acidC6H6OS
  2134 Dipropyl sulfoxideC6H14OS
  2135 PhenoxathiinC12H8OS
  2136 Diphenyl sulfoxideC12H10OS
  2137 ThioxanthoneC13H8OS


DHf: 24.4 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
Ethyne sulfenic acid
 H=24.4 HR=NIST
  O     0.14680923  1  -0.32138248  1   0.40509673  1
  S     1.80318974  1  -0.08681192  1   0.20095212  1
  C     1.92788361  1   1.55414537  1   0.05097774  1
  C     2.06686927  1   2.75638265  1  -0.05608461  1
  H    -0.31713440  1  -0.36567614  1  -0.45202898  1
  H     2.19481728  1   3.77531211  1  -0.14623710  1