PM7 Accuracy

dimethyl sulfoxide   2129 Dimethyl sulfoxide

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    #  Species Formula
  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 acidC2H2OS
  2128 Thiolacetic acidC2H4OS
  2129 Dimethyl sulfoxide C2H6OS
  2130 Dimethyl sulfoxide (Geo)C2H6OS
  2131 S-EthylthioacetateC4H8OS
  2132 Diethyl sulfoxideC4H10OS
  2133 Benzenesulfenic acidC6H6OS
  2134 Dipropyl sulfoxideC6H14OS
  2135 PhenoxathiinC12H8OS
  2136 Diphenyl sulfoxideC12H10OS
  2137 ThioxanthoneC13H8OS
  2138 Bis-diethylamine sulfoxideC8H20N2OS
  2139 Sulfur dioxide (Geo)O2S


DHf: -36.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 4.0 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 9.0 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.
  
 SYMMETRY PM7
Dimethyl sulfoxide
 H=-36.09 HR=C&P1970 I=9.01 IR=LLNBS82 D=3.96 DR=MCC1974
  S     0.00180881  1  -0.02918757  1   0.02721356  1
  C    -1.37863346  1   1.16770147  1   0.00358074  1
  C     1.38123120  1   1.16895283  1   0.00404333  1
  O     0.00182800  1  -0.62813319  1   1.38227227  1
  H    -2.32954490  1   0.62511347  1  -0.01602516  1
  H     2.33252851  1   0.62698354  1  -0.01548393  1
  H    -1.40063886  1   1.80172704  1   0.89441250  1
  H    -1.33281729  1   1.80960899  1  -0.87631595  1
  H     1.33504315  1   1.81096305  1  -0.87561039  1
  H     1.40259595  1   1.80277850  1   0.89503958  1