Accuracy

2-methyl-2-pentanethiol   2094 2-Methyl-2-pentanethiol

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    #  Species Formula
  2084 trans dimethylthiiraneC4H8S
  2085 ButanethiolC4H10S
  2086 Diethyl thioetherC4H10S
  2087 MethylpropylthioetherC4H10S
  2088 (CH3CH2)2S-BH3H13BC4S
  2089 CyclopentanthiolC5H10S
  2090 ThiacyclohexaneC5H10S
  2091 ThiophenolC6H6S
  2092 CyclohexanethiolC6H12S
  2093 2,3-Dimethyl-2-butanethiolC6H14S
  2094 2-Methyl-2-pentanethiol C6H14S
  2095 Butyl ethyl sulfideC6H14S
  2096 Methyl pentyl sulfideC6H14S
  2097 Methyl phenyl sulfideC7H8S
  2098 ToluenethiolC7H8S
  2099 3(tert-Butyl)-1-propeneC7H14S
  2100 1-HeptanethiolC7H16S
  2101 Benzyl methyl sulfideC8H10S
  2102 Ethyl phenyl sulfideC8H10S
  2103 Di-tert-butyl sulfideC8H18S
  2104 Diisobutyl sulfideC8H18S


ΔHf: -35.4 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-Methyl-2-pentanethiol
 H=-35.37 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52473714 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53542937 +1  111.8844558 +1    0.0000000 +0     2     1     0
  C     1.53782002 +1  113.0486851 +1   63.5889187 +1     3     2     1
  C     1.52920721 +1  110.2938894 +1 -177.6712916 +1     4     3     2
  C     1.52451940 +1  110.5842643 +1  125.5898703 +1     2     1     3
  S     1.88062576 +1  108.7701216 +1  119.2448275 +1     2     1     6
  H     1.09845156 +1  112.2535817 +1   55.1818664 +1     1     2     3
  H     1.09881859 +1  110.9564408 +1 -119.2777667 +1     1     2     8
  H     1.09614088 +1  112.7591047 +1 -119.2828607 +1     1     2     9
  H     1.11012458 +1  110.4559654 +1  121.7168835 +1     3     2     4
  H     1.10999370 +1  110.2765756 +1  116.4703251 +1     3     2    11
  H     1.10580086 +1  110.3252107 +1 -121.5247225 +1     4     3     5
  H     1.10593345 +1  110.3654746 +1 -117.0113223 +1     4     3    13
  H     1.09596757 +1  111.4888754 +1  -59.4892509 +1     5     4     3
  H     1.09599275 +1  111.4742369 +1  120.1313951 +1     5     4    15
  H     1.09568274 +1  111.1973155 +1  119.9090174 +1     5     4    16
  H     1.09863585 +1  112.2533154 +1  178.6561023 +1     6     2     1
  H     1.09880651 +1  110.9771008 +1  119.3738074 +1     6     2    18
  H     1.09638220 +1  112.7471386 +1  119.1997467 +1     6     2    19
  H     1.33782328 +1   99.6536136 +1  -61.7693181 +1     7     2     1