Accuracy

3(tert-butyl)-1-propene   2099 3(tert-Butyl)-1-propene

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    #  Species Formula
  2089 CyclopentanthiolC5H10S
  2090 ThiacyclohexaneC5H10S
  2091 ThiophenolC6H6S
  2092 CyclohexanethiolC6H12S
  2093 2,3-Dimethyl-2-butanethiolC6H14S
  2094 2-Methyl-2-pentanethiolC6H14S
  2095 Butyl ethyl sulfideC6H14S
  2096 Methyl pentyl sulfideC6H14S
  2097 Methyl phenyl sulfideC7H8S
  2098 ToluenethiolC7H8S
  2099 3(tert-Butyl)-1-propene C7H14S
  2100 1-HeptanethiolC7H16S
  2101 Benzyl methyl sulfideC8H10S
  2102 Ethyl phenyl sulfideC8H10S
  2103 Di-tert-butyl sulfideC8H18S
  2104 Diisobutyl sulfideC8H18S
  2105 Diphenyl sulfideC12H10S
  2106 Sulfur nitride (Geo)NS
  2107 Sulfur nitrideNS
  2108 Hydrogen isothiocyanateHCNS
  2109 Methyl isothiocyanate (Geo)C2H3NS


ΔHf: -11.1 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
3(tert-Butyl)-1-propene
 H=-11.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33364616 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.48664356 +1  122.8702779 +1    0.0000000 +0     2     1     0
  S     1.84260039 +1  106.0730971 +1  104.4913336 +1     3     2     1
  C     1.87171274 +1  104.0592132 +1  156.5274493 +1     4     3     2
  C     1.52608204 +1  110.0763761 +1   58.1289436 +1     5     4     3
  C     1.52576171 +1  110.3561794 +1 -122.3493597 +1     5     4     6
  C     1.52827140 +1  104.7729470 +1 -118.8336024 +1     5     4     7
  H     1.07887509 +1  124.0095057 +1   -0.4985083 +1     1     2     3
  H     1.07898920 +1  123.3127079 +1 -179.5402470 +1     1     2     9
  H     1.09220075 +1  121.7188023 +1 -179.7319186 +1     2     1     3
  H     1.10567430 +1  111.4511660 +1  120.4282393 +1     3     2     4
  H     1.10604003 +1  112.7602239 +1  119.9960667 +1     3     2    12
  H     1.09584140 +1  112.5965811 +1  -66.0358177 +1     6     5     4
  H     1.09809015 +1  112.2936071 +1  121.5455008 +1     6     5    14
  H     1.09856258 +1  110.7584887 +1  119.1350244 +1     6     5    15
  H     1.09585359 +1  112.7554142 +1   66.7168606 +1     7     5     4
  H     1.09824803 +1  112.2503116 +1 -121.4885531 +1     7     5    17
  H     1.09854064 +1  110.7318177 +1 -119.1677678 +1     7     5    18
  H     1.09837997 +1  112.5173603 +1  -60.1177833 +1     8     5     4
  H     1.09835537 +1  112.4816149 +1  121.5030529 +1     8     5    20
  H     1.09813858 +1  110.6518437 +1  119.2427870 +1     8     5    21