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197 Cyclohexane

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  #           Species Formula
  187 BicyclopropylC6H10
  188 Cyclohexene (Geo)C6H10
  189 CyclohexeneC6H10
  190 Cyclohexyl, cationC6H11
  191 1-HexeneC6H12
  192 2,3-Dimethyl-1-buteneC6H12
  193 2,3-Dimethyl-2-buteneC6H12
  194 (Z)-3-Methyl-2-penteneC6H12
  195 4-Methyl-1-penteneC6H12
  196 Cyclohexane (Geo)C6H12
  197 Cyclohexane C6H12
  198 2,2-Dimethyl butaneC6H14
  199 2,3-Dimethyl butaneC6H14
  200 2-Methyl pentaneC6H14
  201 3-Methyl pentaneC6H14
  202 n-HexaneC6H14
  203 Phenyl lithiumC6H5Li
  204 TriethylboraneC6H15B
  205 Benzyl, cationC7H7
  206 Tropylium, cationC7H7
  207 CycloheptatrieneC7H8



DHf: -29.5 kcal/mol,     REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
I.P.: 10.3 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
Cyclohexane
 HR=CATCH H=-29.49 I=10.3 IR=LLNBS82
 XX         0.00000000 +0    0.0000000 +0    0.0000000 +0 
 XX         5.00000000 +0    0.0000000 +0    0.0000000 +0    1    0    0
 XX         5.00000000 +0   90.0000000 +0    0.0000000 +0    2    1    0
 XX         0.46446151 +1   90.0000000 +0   90.0000000 +0    1    2    3
  C         1.46343160 +1   90.0000000 +0  180.0000000 +0    1    4    2       0.0000
  C         1.46343160 +0   90.0000000 +0 -120.0000000 +0    4    1    2       0.0000
  C         1.46343160 +0   90.0000000 +0   60.0000000 +0    1    4    2       0.0000
  C         1.46343160 +0   90.0000000 +0    0.0000000 +0    4    1    2       0.0000
  C         1.46343160 +0   90.0000000 +0  -60.0000000 +0    1    4    2       0.0000
  C         1.46343160 +0   90.0000000 +0  120.0000000 +0    4    1    2       0.0000
  H         1.10530860 +1  159.5401220 +1    0.0000000 +0    5    1    4       0.0000
  H         1.10652439 +1   94.2496643 +1  180.0000000 +0    5    1    4       0.0000
  H         1.10530860 +0  159.5401220 +0    0.0000000 +0    6    4    1       0.0000
  H         1.10652439 +0   94.2496643 +0  180.0000000 +0    6    4    1       0.0000
  H         1.10530860 +0  159.5401220 +0    0.0000000 +0    7    1    4       0.0000
  H         1.10652439 +0   94.2496643 +0  180.0000000 +0    7    1    4       0.0000
  H         1.10530860 +0  159.5401220 +0    0.0000000 +0    8    4    1       0.0000
  H         1.10652439 +0   94.2496643 +0  180.0000000 +0    8    4    1       0.0000
  H         1.10530860 +0  159.5401220 +0    0.0000000 +0    9    1    4       0.0000
  H         1.10652439 +0   94.2496643 +0  180.0000000 +0    9    1    4       0.0000
  H         1.10530860 +0  159.5401220 +0    0.0000000 +0   10    4    1       0.0000
  H         1.10652439 +0   94.2496643 +0  180.0000000 +0   10    4    1       0.0000