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

diethyl thioether   2087 Diethyl thioether

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    #  Species Formula
  2077 IsopropanthiolC3H8S
  2078 MethylethylthioetherC3H8S
  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 thioether C4H10S
  2088 MethylpropylthioetherC4H10S
  2089 (CH3CH2)2S-BH3H13BC4S
  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


ΔHf: -19.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Diethyl thioether
 H=-19.89,0.19 HR=C&P1970 S=87.98 CP=27.96
  C    -0.01286826 +1  -0.08132901 +1   0.08020169 +1
  C     1.50456635 +1  -0.02711161 +1   0.05843678 +1
  S     2.15241729 +1   1.69108137 +1   0.08395458 +1
  C     1.97937123 +1   2.18042240 +1   1.84539015 +1
  C     3.07262688 +1   1.59988463 +1   2.72529363 +1
  H     2.99104002 +1   1.98032836 +1   3.75303149 +1
  H     4.07791207 +1   1.86277328 +1   2.36720869 +1
  H     3.02616653 +1   0.50559055 +1   2.78472637 +1
  H     0.97988695 +1   1.89271612 +1   2.21713158 +1
  H     2.01094733 +1   3.28776137 +1   1.85601035 +1
  H     1.93180599 +1  -0.60152660 +1   0.89960687 +1
  H     1.90375831 +1  -0.48509561 +1  -0.86816464 +1
  H    -0.36758687 +1  -1.11752794 +1  -0.01089613 +1
  H    -0.46069231 +1   0.48419901 +1  -0.74901664 +1
  H    -0.43546048 +1   0.31986385 +1   1.00993214 +1