PM7 Accuracy

cyclohexanethiol   2095 Cyclohexanethiol

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    #  Species Formula
  2085 cis DimethylthiiraneC4H8S
  2086 TetrahydrothiopheneC4H8S
  2087 trans dimethylthiiraneC4H8S
  2088 ButanethiolC4H10S
  2089 Diethyl thioetherC4H10S
  2090 MethylpropylthioetherC4H10S
  2091 (CH3CH2)2S-BH3H13BC4S
  2092 CyclopentanthiolC5H10S
  2093 ThiacyclohexaneC5H10S
  2094 ThiophenolC6H6S
  2095 Cyclohexanethiol C6H12S
  2096 2,3-Dimethyl-2-butanethiolC6H14S
  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


DHf: -23.0 kcal/mol,     REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
  
 PM7
Cyclohexanethiol
 HR=CATCH H=-22.96
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53059924  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53730331  1  109.7618561  1    0.0000000  0     2     1     0
  C     1.53384677  1  110.6945396  1   57.0375853  1     3     2     1
  C     1.53365187  1  110.6065063  1  -56.8515423  1     4     3     2
  C     1.52975259  1  110.9197062  1  -58.5735858  1     1     2     3
  S     1.84958946  1  111.1541255  1  177.1399831  1     1     2     3
  H     1.11737119  1  109.4600287  1   62.5523121  1     1     2     3
  H     1.10754348  1  110.8759310  1 -179.8004058  1     2     1     6
  H     1.10658285  1  111.1661024  1   62.4658000  1     2     1     6
  H     1.10564130  1  109.8351716  1  178.8192243  1     3     2     1
  H     1.10590031  1  110.0690644  1  -64.8876135  1     3     2     1
  H     1.10561804  1  110.0617574  1 -178.7598407  1     4     3     2
  H     1.10610863  1  109.9744892  1   64.8493789  1     4     3     2
  H     1.10511807  1  110.2739553  1  179.1865500  1     5     4     3
  H     1.10616492  1  110.0091004  1  -64.2609014  1     5     4     3
  H     1.10743431  1  111.0904185  1 -179.6529738  1     6     1     2
  H     1.10667844  1  111.1297963  1  -61.8021816  1     6     1     2
  H     1.33780226  1  100.4146452  1   62.5777892  1     7     1     2