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

hydrogen sulfide (h2s)   2054 Hydrogen sulfide (H2S)

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    #  Species Formula
  2044 Phosphorus trioxideO6P4
  2045 Phosphorus pentoxide (Geo)O10P4
  2046 Phosphorus pentoxideO10P4
  2047 Mg(II)O6(2-) (FAPSIY) (Geo)C4H16O16MgP4
  2048 Sulfur, cationS
  2049 Sulfur, atomS
  2050 Sulfur, anionS
  2051 Hydrogen sulfide (HS)HS
  2052 Hydrogen sulfide, anionHS
  2053 Hydrogen sulfide (Geo)H2S
  2054 Hydrogen sulfide (H2S) H2S
  2055 Beryllium sulfide (Geo)BeS
  2056 Boron sulfideBS
  2057 S=B-H (Geo)HBS
  2058 Carbon sulfideCS
  2059 Carbon sulfide (Geo)CS
  2060 Thioformaldehyde (Geo)CH2S
  2061 ThioformaldehydeCH2S
  2062 Methanethio radicalCH3S
  2063 Thiomethanol (Geo)CH4S
  2064 ThiomethanolCH4S


ΔHf: -4.9 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 1.0 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 10.4 eV,     REF: H. M. Rosenstock, K. Draxl, B. W. Steiner, J. T. Herron, "Energetics of Gaseous Ions," J. Phys. Ref. Data, 6 Suppl. 1 (1977).
  
 SYMMETRY PM7
Hydrogen sulfide (H2S)
 H=-4.9 HR=JANAF86 I=10.43 D=.9740 DR=MCC1974 IR=RDSH1977
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.33893007 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.33893007 +0   96.9350277 +1    0.0000000 +0     2     1     0