Accuracy

benzyl methyl sulfide   2101 Benzyl methyl sulfide

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    #  Species Formula
  2091 ThiophenolC6H6S
  2092 CyclohexanethiolC6H12S
  2093 2,3-Dimethyl-2-butanethiolC6H14S
  2094 2-Methyl-2-pentanethiolC6H14S
  2095 Butyl ethyl sulfideC6H14S
  2096 Methyl pentyl sulfideC6H14S
  2097 Methyl phenyl sulfideC7H8S
  2098 ToluenethiolC7H8S
  2099 3(tert-Butyl)-1-propeneC7H14S
  2100 1-HeptanethiolC7H16S
  2101 Benzyl methyl sulfide C8H10S
  2102 Ethyl phenyl sulfideC8H10S
  2103 Di-tert-butyl sulfideC8H18S
  2104 Diisobutyl sulfideC8H18S
  2105 Diphenyl sulfideC12H10S
  2106 Sulfur nitride (Geo)NS
  2107 Sulfur nitrideNS
  2108 Hydrogen isothiocyanateHCNS
  2109 Methyl isothiocyanate (Geo)C2H3NS
  2110 Methyl isothiocyanateC2H3NS
  2111 Methyl thiocyanateC2H3NS


ΔHf: 19.0 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
Benzyl methyl sulfide
 H=19 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39776672 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39290097 +1  120.0334009 +1    0.0000000 +0     2     1     0
  C     1.39379600 +1  120.1394577 +1   -0.0321578 +1     3     2     1
  C     1.39406009 +1  119.9052509 +1    0.0653613 +1     4     3     2
  C     1.39268579 +1  120.1444820 +1   -0.0905672 +1     5     4     3
  C     1.48802087 +1  120.1365813 +1 -179.9123543 +1     1     2     3
  S     1.84286228 +1  105.9973479 +1   89.9896941 +1     7     1     2
  C     1.82133589 +1  101.6653646 +1  179.8661761 +1     8     7     1
  H     1.08835435 +1  120.0939205 +1  179.6491506 +1     2     1     3
  H     1.08822756 +1  119.8546400 +1  179.9144203 +1     3     2     4
  H     1.08760576 +1  120.0582268 +1  179.9099890 +1     4     3     5
  H     1.08820379 +1  119.9897518 +1  179.9216272 +1     5     4     6
  H     1.08837403 +1  119.8747093 +1  179.6879836 +1     6     5     4
  H     1.10579241 +1  112.1831759 +1 -120.2549002 +1     7     1     8
  H     1.10577797 +1  112.1799156 +1 -119.5000270 +1     7     1    15
  H     1.09362022 +1  112.1375775 +1  -61.3420759 +1     9     8     7
  H     1.09371033 +1  112.1219374 +1  122.6836971 +1     9     8    17
  H     1.09762108 +1  107.7795299 +1  118.6280002 +1     9     8    18