Accuracy

c6h5scl   1737 C6H5SCl

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    #  Species Formula
  1727 TrifluorochloromethaneCF3Cl
  1728 ChlorotrifluoroetheneC2F3Cl
  1729 Chlorine pentafluorideF5Cl
  1730 Chlorine pentafluoride (Geo)F5Cl
  1731 ChloropentafluoroethaneC2F5Cl
  1732 ChloropentafluorobenzeneC6F5Cl
  1733 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptyletherC9H4OF15Cl
  1734 Phosphorus monoxide monochlorideOPCl
  1735 CH3SClCH3SCl
  1736 CH3SCl (Geo)CH3SCl
  1737 C6H5SCl C6H5SCl
  1738 SOClOSCl
  1739 HOSO2ClHO3SCl
  1740 SO2ClFO2FSCl
  1741 SF5ClF5SCl
  1742 Hydrogen dichloride, anionHCl2
  1743 DichloromethyleneCCl2
  1744 CHCl2(+)HCCl2
  1745 Dichloromethane (Geo)CH2Cl2
  1746 DichloromethaneCH2Cl2
  1747 DichloroacetyleneC2Cl2


ΔHf: 25.3 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

C6H5SCl
 HR=WHSMC03 H=25.3
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.76183647 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39513206 +1  119.7517541 +1    0.0000000 +0     2     1     0
  C     1.39365692 +1  119.5392939 +1 -178.1077214 +1     3     2     1
  C     1.39444830 +1  120.0241252 +1   -0.3309871 +1     4     3     2
  C     1.39428603 +1  120.1934507 +1   -0.0595446 +1     5     4     3
  C     1.39492233 +1  119.5676380 +1 -178.8299175 +1     2     1     3
  H     1.09262650 +1  121.0589141 +1 -179.8828105 +1     3     2     4
  H     1.08888225 +1  119.9483150 +1 -179.7993739 +1     4     3     5
  H     1.09017518 +1  119.9101219 +1 -179.8261671 +1     5     4     6
  H     1.08891204 +1  120.0271029 +1 -179.7006250 +1     6     5     4
  H     1.09250328 +1  121.1121477 +1   -2.3238822 +1     7     2     1
 Cl     2.03998460 +1   99.7623367 +1  -87.2916273 +1     1     2     3