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

carbon sulfide   2058 Carbon sulfide

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    #  Species Formula
  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 sulfide CS
  2059 Carbon sulfide (Geo)CS
  2060 Thioformaldehyde (Geo)CH2S
  2061 ThioformaldehydeCH2S
  2062 Methanethio radicalCH3S
  2063 Thiomethanol (Geo)CH4S
  2064 ThiomethanolCH4S
  2065 CH3-B=S (Geo)H3BCS
  2066 Thioketene, H2CCSC2H2S
  2067 C2H3SC2H3S
  2068 Thioacetaldehyde (Geo)C2H4S


ΔHf: 67.0 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: 0.7 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 11.3 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Carbon sulfide
 H=67.0 HR=JANAF86 I=11.3 IR=LLNBS82 D=0.68 DR=MCC1974
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.51136818 +1    0.0000000 +0    0.0000000 +0     1     0     0