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174 Benzene

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  #           Species Formula
  164 cis-2-PenteneC5H10
  165 cis-DimethylcyclopropaneC5H10
  166 CyclopentaneC5H10
  167 trans-2-PenteneC5H10
  168 Neopentyl, anionC5H11
  169 n-PentaneC5H12
  170 Neopentane (Geo)C5H12
  171 NeopentaneC5H12
  172 Cyclopentadienylberyllium hydrideC5H6Be
  173 C6H5 radicalC6H5
  174 Benzene C6H6
  175 Benzene (Geo)C6H6
  176 FulveneC6H6
  177 Fulvene (Geo)C6H6
  178 (E)-1,3,5-HexatrieneC6H8
  179 (Z)-1,3,5-HexatrieneC6H8
  180 1,3-CyclohexadieneC6H8
  181 1,4-CyclohexadieneC6H8
  182 1,2-DimethylcyclobuteneC6H10
  183 1,5-HexadieneC6H10
  184 1-Methyl cyclopenteneC6H10



DHf: 19.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 9.2 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.

  
 SYMMETRY
Benzene
 HWT=2 HR=C&P1970 I=9.25 IR=LLNBS82 H=19.81,0.13
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         1.39859211 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.39859211 +0  120.0000000 +0    0.0000000 +0    2    1    0       0.0000
  C         1.39859211 +0  120.0000000 +0    0.0000000 +0    3    2    1       0.0000
  C         1.39859211 +0  120.0000000 +0    0.0000000 +0    4    3    2       0.0000
  C         1.39859211 +0  120.0000000 +0    0.0000000 +0    5    4    3       0.0000
  H         1.08763411 +1  120.0000000 +0  180.0000000 +0    1    6    5       0.0000
  H         1.08763411 +0  120.0000000 +0  180.0000000 +0    5    6    1       0.0000
  H         1.08763411 +0  120.0000000 +0  180.0000000 +0    2    1    6       0.0000
  H         1.08763411 +0  120.0000000 +0  180.0000000 +0    6    1    2       0.0000
  H         1.08763411 +0  120.0000000 +0  180.0000000 +0    3    2    1       0.0000
  H         1.08763411 +0  120.0000000 +0  180.0000000 +0    4    3    2       0.0000