Accuracy

thiacyclohexane   2090 Thiacyclohexane

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    #  Species Formula
  2080 2,3-DihydrothiopheneC4H6S
  2081 2,5-DihydrothiopheneC4H6S
  2082 cis DimethylthiiraneC4H8S
  2083 TetrahydrothiopheneC4H8S
  2084 trans dimethylthiiraneC4H8S
  2085 ButanethiolC4H10S
  2086 Diethyl thioetherC4H10S
  2087 MethylpropylthioetherC4H10S
  2088 (CH3CH2)2S-BH3H13BC4S
  2089 CyclopentanthiolC5H10S
  2090 Thiacyclohexane C5H10S
  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-propeneC7H14S
  2100 1-HeptanethiolC7H16S


ΔHf: -15.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Thiacyclohexane
 H=-15.12,0.18 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52372908 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53496077 +1  112.2627192 +1    0.0000000 +0     2     1     0
  C     1.53453186 +1  112.3310058 +1   64.4957801 +1     3     2     1
  C     1.52312518 +1  112.1425262 +1  -65.0402445 +1     4     3     2
  S     1.83395794 +1  111.4223832 +1   60.0072709 +1     5     4     3
  H     1.10623026 +1  111.0689041 +1 -178.1743181 +1     1     2     3
  H     1.10464860 +1  110.9427148 +1   63.2770295 +1     1     2     3
  H     1.10916318 +1  109.4429195 +1 -121.6593884 +1     2     1     3
  H     1.10950455 +1  110.5538049 +1  122.8776683 +1     2     1     3
  H     1.10780151 +1  109.2576445 +1 -174.1619054 +1     3     2     1
  H     1.10645056 +1  109.9885533 +1  -58.5839536 +1     3     2     1
  H     1.10980573 +1  109.3186153 +1  173.5560731 +1     4     3     2
  H     1.10919108 +1  109.7989111 +1   58.6217492 +1     4     3     2
  H     1.10588061 +1  111.1676582 +1  178.9385060 +1     5     4     3
  H     1.10439085 +1  111.0257703 +1  -62.2757166 +1     5     4     3