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

2,3-dimethyl-2-butanethiol   2094 2,3-Dimethyl-2-butanethiol

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    #  Species Formula
  2084 TetrahydrothiopheneC4H8S
  2085 trans dimethylthiiraneC4H8S
  2086 ButanethiolC4H10S
  2087 Diethyl thioetherC4H10S
  2088 MethylpropylthioetherC4H10S
  2089 (CH3CH2)2S-BH3H13BC4S
  2090 CyclopentanthiolC5H10S
  2091 ThiacyclohexaneC5H10S
  2092 ThiophenolC6H6S
  2093 CyclohexanethiolC6H12S
  2094 2,3-Dimethyl-2-butanethiol C6H14S
  2095 2-Methyl-2-pentanethiolC6H14S
  2096 Butyl ethyl sulfideC6H14S
  2097 Methyl pentyl sulfideC6H14S
  2098 Methyl phenyl sulfideC7H8S
  2099 ToluenethiolC7H8S
  2100 3(tert-Butyl)-1-propeneC7H14S
  2101 1-HeptanethiolC7H16S
  2102 Benzyl methyl sulfideC8H10S
  2103 Ethyl phenyl sulfideC8H10S
  2104 Di-tert-butyl sulfideC8H18S


ΔHf: -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