PM7 Accuracy

dipropyl sulfoxide   2134 Dipropyl sulfoxide

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    #  Species Formula
  2124 Sulfur monoxide (triplet)OS
  2125 HOSHOS
  2126 Carbon oxysulfideCOS
  2127 Ethyne sulfenic acidC2H2OS
  2128 Thiolacetic acidC2H4OS
  2129 Dimethyl sulfoxideC2H6OS
  2130 Dimethyl sulfoxide (Geo)C2H6OS
  2131 S-EthylthioacetateC4H8OS
  2132 Diethyl sulfoxideC4H10OS
  2133 Benzenesulfenic acidC6H6OS
  2134 Dipropyl sulfoxide C6H14OS
  2135 PhenoxathiinC12H8OS
  2136 Diphenyl sulfoxideC12H10OS
  2137 ThioxanthoneC13H8OS
  2138 Bis-diethylamine sulfoxideC8H20N2OS
  2139 Sulfur dioxide (Geo)O2S
  2140 Sulfur dioxideO2S
  2141 S(OH)2H2O2S
  2142 Dimethyl sulfoneC2H6O2S
  2143 Dimethyl sulfone (Geo)C2H6O2S
  2144 Methylethyl sulfoneC3H8O2S


DHf: -60.9 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
Dipropyl sulfoxide
 H=-60.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53222269  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52549863  1  110.2095343  1    0.0000000  0     2     1     0
  S     1.84748394  1  110.2035348  1 -179.6995710  1     3     2     1
  C     1.84613311  1   99.6506292  1 -129.0518118  1     4     3     2
  C     1.52581230  1  110.1452838  1  124.8422267  1     5     4     3
  C     1.53205379  1  110.2012140  1 -179.5333534  1     6     5     4
  O     1.48544944  1  104.7912451  1  122.6171278  1     4     3     2
  H     1.09534557  1  111.2086177  1  179.7473322  1     1     2     3
  H     1.09623475  1  111.4290771  1   60.0073828  1     1     2     3
  H     1.09518798  1  111.6459507  1  -60.2413291  1     1     2     3
  H     1.10953222  1  109.1538007  1   57.7131399  1     2     1     9
  H     1.10784608  1  109.2703122  1  -57.7839543  1     2     1     9
  H     1.10002541  1  110.6010439  1   55.8634083  1     3     2     1
  H     1.10795024  1  110.3799557  1  -60.4963847  1     3     2     1
  H     1.10026113  1  112.1058027  1    1.2851869  1     5     4     3
  H     1.10786797  1  108.0713843  1 -114.3609674  1     5     4     3
  H     1.10949049  1  110.8787082  1   59.5060143  1     6     5     4
  H     1.10781616  1  111.2284432  1  -58.1926581  1     6     5     4
  H     1.09544725  1  111.2272169  1 -179.5744637  1     7     6     5
  H     1.09530553  1  111.6517325  1   60.4239416  1     7     6     5
  H     1.09629455  1  111.4520623  1  -59.8232223  1     7     6     5