PM7 Accuracy

2,3-dimethyl-2-butanethiol   2096 2,3-Dimethyl-2-butanethiol

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    #  Species Formula
  2086 TetrahydrothiopheneC4H8S
  2087 trans dimethylthiiraneC4H8S
  2088 ButanethiolC4H10S
  2089 Diethyl thioetherC4H10S
  2090 MethylpropylthioetherC4H10S
  2091 (CH3CH2)2S-BH3H13BC4S
  2092 CyclopentanthiolC5H10S
  2093 ThiacyclohexaneC5H10S
  2094 ThiophenolC6H6S
  2095 CyclohexanethiolC6H12S
  2096 2,3-Dimethyl-2-butanethiol C6H14S
  2097 2-Methyl-2-pentanethiolC6H14S
  2098 Butyl ethyl sulfideC6H14S
  2099 Methyl pentyl sulfideC6H14S
  2100 Methyl phenyl sulfideC7H8S
  2101 ToluenethiolC7H8S
  2102 3(tert-Butyl)-1-propeneC7H14S
  2103 1-HeptanethiolC7H16S
  2104 Benzyl methyl sulfideC8H10S
  2105 Ethyl phenyl sulfideC8H10S
  2106 Di-tert-butyl sulfideC8H18S


DHf: -35.3 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
2,3-Dimethyl-2-butanethiol
 H=-35.34 HR=NIST
  C    -0.01999058  1   0.01951563  1   0.01265736  1
  C     1.50092224  1   0.09903090  1  -0.03905752  1
  S    -0.72014855  1   1.76435632  1   0.04157061  1
  C    -0.54714501  1  -0.66628100  1  -1.24756826  1
  C    -0.54390406  1  -0.68644513  1   1.28766896  1
  C    -0.13050067  1  -2.16774251  1   1.31682141  1
  C    -0.05349759  1  -0.02589929  1   2.58269768  1
  H     1.92042241  1   0.66325726  1   0.80478484  1
  H     1.94411748  1  -0.90545126  1   0.00064742  1
  H     1.86827592  1   0.56815898  1  -0.95914417  1
  H    -0.31125293  1   2.18301944  1  -1.16182768  1
  H    -1.64124247  1  -0.75506089  1  -1.24668331  1
  H    -0.14634288  1  -1.68529848  1  -1.33964689  1
  H    -0.26078513  1  -0.14146750  1  -2.16625899  1
  H    -1.66453850  1  -0.64984358  1   1.27479556  1
  H    -0.51894886  1  -2.72073253  1   0.45656648  1
  H     0.95793952  1  -2.28375381  1   1.32857260  1
  H    -0.51922674  1  -2.65974928  1   2.21627406  1
  H     1.03931293  1  -0.03270607  1   2.65554033  1
  H    -0.38178048  1   1.01580513  1   2.67650450  1
  H    -0.44185634  1  -0.55717837  1   3.45940043  1