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

diphenyl sulfide   2106 Diphenyl sulfide

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    #  Species Formula
  2096 Butyl ethyl sulfideC6H14S
  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 sulfide C12H10S
  2107 Sulfur nitride (Geo)NS
  2108 Sulfur nitrideNS
  2109 Hydrogen isothiocyanateHCNS
  2110 Methyl isothiocyanate (Geo)C2H3NS
  2111 Methyl isothiocyanateC2H3NS
  2112 Methyl thiocyanateC2H3NS
  2113 EthanethioamideC2H5NS
  2114 4-MethylthiazoleC4H5NS
  2115 BenzothiazoleC7H5NS
  2116 BenzenecarbothioamideC7H8NS


ΔHf: 55.3 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
Diphenyl sulfide
 HR=WHSMC03 H=55.3
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.76952562 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.76967042 +1  115.7549966 +1    0.0000000 +0     2     1     0
  C     1.38886185 +1  127.8648689 +1   -0.2451477 +1     3     2     1
  C     1.39634375 +1  120.0599405 +1  179.9961897 +1     4     3     2
  C     1.39082134 +1  120.3165644 +1    0.0075412 +1     5     4     3
  C     1.39566715 +1  119.6035186 +1   -0.0000548 +1     6     5     4
  C     1.39069452 +1  120.3257261 +1   -0.0029868 +1     7     6     5
  C     1.40179168 +1  112.2686420 +1  179.8699211 +1     1     2     3
  C     1.39077969 +1  119.9158057 +1  179.9810368 +1     9     1     2
  C     1.39563703 +1  120.3191125 +1   -0.0076211 +1    10     9     1
  C     1.39082759 +1  119.5987186 +1   -0.0072407 +1    11    10     9
  C     1.38888062 +1  127.9596134 +1  179.9426848 +1     1     2     9
  H     1.09069331 +1  121.7643222 +1  179.9724990 +1     4     3     5
  H     1.08897093 +1  119.5865298 +1  179.9974827 +1     5     4     6
  H     1.08764577 +1  120.3174763 +1 -179.9993333 +1     6     5     7
  H     1.08897523 +1  119.8473893 +1 -179.9982922 +1     7     6     8
  H     1.09217705 +1  118.8038508 +1 -179.9936748 +1     8     7     6
  H     1.09225278 +1  121.3273413 +1  179.9938139 +1     9     1    10
  H     1.08892419 +1  119.8130442 +1 -179.9982602 +1    10     9    11
  H     1.08760986 +1  120.0832988 +1 -179.9987455 +1    11    10    12
  H     1.08901202 +1  120.0964053 +1 -179.9952503 +1    12    11    10
  H     1.09073819 +1  121.7385580 +1   -0.0037193 +1    13     1     2