PM7 Accuracy

methyl pentyl sulfide   2099 Methyl pentyl sulfide

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    #  Species Formula
  2089 Diethyl thioetherC4H10S
  2090 MethylpropylthioetherC4H10S
  2091 (CH3CH2)2S-BH3H13BC4S
  2092 CyclopentanthiolC5H10S
  2093 ThiacyclohexaneC5H10S
  2094 ThiophenolC6H6S
  2095 CyclohexanethiolC6H12S
  2096 2,3-Dimethyl-2-butanethiolC6H14S
  2097 2-Methyl-2-pentanethiolC6H14S
  2098 Butyl ethyl sulfideC6H14S
  2099 Methyl pentyl sulfide C6H14S
  2100 Methyl phenyl sulfideC7H8S
  2101 ToluenethiolC7H8S
  2102 3(tert-Butyl)-1-propeneC7H14S
  2103 1-HeptanethiolC7H16S
  2104 Benzyl methyl sulfideC8H10S
  2105 Ethyl phenyl sulfideC8H10S
  2106 Di-tert-butyl sulfideC8H18S
  2107 Diisobutyl sulfideC8H18S
  2108 Diphenyl sulfideC12H10S
  2109 Sulfur nitride (Geo)NS


DHf: -29.1 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
Methyl pentyl sulfide
 H=-29.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.82155848  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.84015302  1  101.8708180  1    0.0000000  0     2     1     0
  C     1.52662182  1  108.8841364  1  179.7453174  1     3     2     1
  C     1.53705745  1  109.8610022  1  179.8943865  1     4     3     2
  C     1.53468728  1  110.5236578  1  179.9118349  1     5     4     3
  C     1.52851488  1  110.8192528  1  179.9778866  1     6     5     4
  H     1.09375351  1  112.0649192  1   61.1548866  1     1     2     3
  H     1.09382532  1  112.0559741  1 -122.5062295  1     1     2     8
  H     1.09734484  1  107.9072975  1 -118.7333367  1     1     2     9
  H     1.10407341  1  109.7499998  1 -121.2632915  1     3     2     4
  H     1.10380119  1  109.7653468  1 -117.4015914  1     3     2    11
  H     1.10851634  1  111.0285804  1  121.3236848  1     4     3     5
  H     1.10861373  1  111.0050517  1  117.4598374  1     4     3    13
  H     1.10567015  1  110.1956418  1 -121.7742603  1     5     4     6
  H     1.10577090  1  110.1711618  1 -116.5501543  1     5     4    15
  H     1.10644906  1  110.0340422  1  121.8942441  1     6     5     7
  H     1.10656499  1  110.0149162  1  116.2472936  1     6     5    17
  H     1.09566715  1  111.4655732  1  -60.2217677  1     7     6     5
  H     1.09569938  1  111.4711158  1  120.1655559  1     7     6    19
  H     1.09570454  1  111.2206463  1  119.9027211  1     7     6    20