PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

cyclopentanthiol   2090 Cyclopentanthiol

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    #  Species Formula
  2080 Thiophene (Geo)C4H4S
  2081 2,3-DihydrothiopheneC4H6S
  2082 2,5-DihydrothiopheneC4H6S
  2083 cis DimethylthiiraneC4H8S
  2084 TetrahydrothiopheneC4H8S
  2085 trans dimethylthiiraneC4H8S
  2086 ButanethiolC4H10S
  2087 Diethyl thioetherC4H10S
  2088 MethylpropylthioetherC4H10S
  2089 (CH3CH2)2S-BH3H13BC4S
  2090 Cyclopentanthiol C5H10S
  2091 ThiacyclohexaneC5H10S
  2092 ThiophenolC6H6S
  2093 CyclohexanethiolC6H12S
  2094 2,3-Dimethyl-2-butanethiolC6H14S
  2095 2-Methyl-2-pentanethiolC6H14S
  2096 Butyl ethyl sulfideC6H14S
  2097 Methyl pentyl sulfideC6H14S
  2098 Methyl phenyl sulfideC7H8S
  2099 ToluenethiolC7H8S
  2100 3(tert-Butyl)-1-propeneC7H14S


ΔHf: -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