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

(ch3ch2)2s-bh3   2089 (CH3CH2)2S-BH3

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    #  Species Formula
  2079 ThiopheneC4H4S
  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-BH3 H13BC4S
  2090 CyclopentanthiolC5H10S
  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


ΔHf: -30.5 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
  
 PM7
(CH3CH2)2S-BH3
 H=-30.5 HR=WEPS1982
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.83876605 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.83677506 +1  102.6696299 +1    0.0000000 +0     1     2     0
  C     1.51791719 +1  110.5845606 +1 -101.5689065 +1     2     1     3
  C     1.51700801 +1  111.8045330 +1   70.7643177 +1     3     1     2
  H     1.10590030 +1  110.8520021 +1   21.8674038 +1     2     1     3
  H     1.11073125 +1  108.5709564 +1  137.3420236 +1     2     1     3
  H     1.10702125 +1  111.2300678 +1  -53.6805774 +1     3     1     2
  H     1.11162393 +1  106.7883553 +1 -168.3230169 +1     3     1     2
  B     1.87361591 +1  105.1942029 +1 -108.5192462 +1     1     2     3
  H     1.19934784 +1  117.0764882 +1  -71.2511526 +1    10     1     2
  H     1.19701140 +1  122.2290786 +1   50.7907257 +1    10     1     2
  H     1.19885585 +1  117.4057534 +1  172.9134739 +1    10     1     2
  H     1.09962704 +1  112.5732921 +1  -58.1602662 +1     4     2     1
  H     1.09783268 +1  112.8567278 +1   63.4220297 +1     4     2     1
  H     1.10060069 +1  110.6461925 +1 -177.0783028 +1     4     2     1
  H     1.09786177 +1  112.6413481 +1  -69.5885988 +1     5     3     1
  H     1.09917469 +1  112.8209679 +1   52.4295048 +1     5     3     1
  H     1.10108214 +1  110.6150255 +1  171.3306577 +1     5     3     1