PM7 Accuracy

cyclopentanthiol   2092 Cyclopentanthiol

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    #  Species Formula
  2082 Thiophene (Geo)C4H4S
  2083 2,3-DihydrothiopheneC4H6S
  2084 2,5-DihydrothiopheneC4H6S
  2085 cis DimethylthiiraneC4H8S
  2086 TetrahydrothiopheneC4H8S
  2087 trans dimethylthiiraneC4H8S
  2088 ButanethiolC4H10S
  2089 Diethyl thioetherC4H10S
  2090 MethylpropylthioetherC4H10S
  2091 (CH3CH2)2S-BH3H13BC4S
  2092 Cyclopentanthiol C5H10S
  2093 ThiacyclohexaneC5H10S
  2094 ThiophenolC6H6S
  2095 CyclohexanethiolC6H12S
  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


DHf: -11.4 kcal/mol,     REF: M. Mansson, S. Sunner, Acta Chem. Scand., 16, 1863 (1962).
  
 PM7
Cyclopentanthiol
 H=-11.4 HR=MS1962
  C    -0.01601788  1  -0.02595394  1   0.00163764  1
  C     1.51108078  1  -0.00915286  1   0.14032495  1
  C     1.97798821  1   1.36588991  1  -0.37266779  1
  C    -0.43999481  1   1.44190084  1   0.12891285  1
  C     0.73153517  1   2.27182129  1  -0.42581960  1
  S    -0.55703728  1  -0.76630810  1  -1.59899106  1
  H     0.05202761  1   0.05997011  1  -2.45789356  1
  H    -0.49178232  1  -0.65989785  1   0.78030916  1
  H     2.00724613  1  -0.83658605  1  -0.39178407  1
  H     1.79236414  1  -0.13758748  1   1.20253905  1
  H     2.44613874  1   1.27976886  1  -1.36643524  1
  H     2.74959991  1   1.78930772  1   0.28990068  1
  H    -1.38992021  1   1.67171815  1  -0.38060907  1
  H    -0.61330717  1   1.68776070  1   1.19388975  1
  H     0.53040434  1   2.60295116  1  -1.45766045  1
  H     0.87825607  1   3.19173295  1   0.16231534  1