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

butyl ethyl sulfide   2096 Butyl ethyl sulfide

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    #  Species Formula
  2086 ButanethiolC4H10S
  2087 Diethyl thioetherC4H10S
  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 sulfide C6H14S
  2097 Methyl pentyl sulfideC6H14S
  2098 Methyl phenyl sulfideC7H8S
  2099 ToluenethiolC7H8S
  2100 3(tert-Butyl)-1-propeneC7H14S
  2101 1-HeptanethiolC7H16S
  2102 Benzyl methyl sulfideC8H10S
  2103 Ethyl phenyl sulfideC8H10S
  2104 Di-tert-butyl sulfideC8H18S
  2105 Diisobutyl sulfideC8H18S
  2106 Diphenyl sulfideC12H10S


ΔHf: -30.3 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Butyl ethyl sulfide
 H=-30.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51852750 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     1.84453760 +1  108.8221223 +1    0.0000000 +0     2     1     0
  C     1.84009978 +1  101.2462167 +1 -179.8553117 +1     3     2     1
  C     1.52621576 +1  108.9319221 +1 -179.9998086 +1     4     3     2
  C     1.53797100 +1  109.8969588 +1  179.9023532 +1     5     4     3
  C     1.52838736 +1  110.6169951 +1  179.9404050 +1     6     5     4
  H     1.09901049 +1  112.4567967 +1   60.2417408 +1     1     2     3
  H     1.09898520 +1  112.4575344 +1 -121.2522922 +1     1     2     8
  H     1.09906223 +1  110.7154581 +1 -119.3568236 +1     1     2     9
  H     1.10429228 +1  110.9088713 +1  120.4892603 +1     2     1     3
  H     1.10423743 +1  110.9212795 +1  118.9985522 +1     2     1    11
  H     1.10419959 +1  109.6094317 +1  121.2902649 +1     4     3     5
  H     1.10397916 +1  109.6513892 +1  117.3714759 +1     4     3    13
  H     1.10842339 +1  111.1037051 +1 -121.2835124 +1     5     4     6
  H     1.10851712 +1  111.0616598 +1 -117.4751445 +1     5     4    15
  H     1.10617227 +1  110.1097962 +1  121.7750794 +1     6     5     7
  H     1.10627192 +1  110.0851128 +1  116.5057736 +1     6     5    17
  H     1.09595244 +1  111.4738349 +1  -60.2110838 +1     7     6     5
  H     1.09598429 +1  111.4802057 +1  120.1537559 +1     7     6    19
  H     1.09569127 +1  111.2543756 +1  119.9219038 +1     7     6    20