PM7 Accuracy

methane     55 Methane

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    #  Species Formula
    45 Decaborane(14)H14B10
    46 Carbon, cationC
    47 Carbon, atomC
    48 MethylidyneHC
    49 Methylene, singlet (Geo)CH2
    50 Methylene, triplet (Geo)CH2
    51 Methylene, singletCH2
    52 Methylene, tripletCH2
    53 Methyl, cationCH3
    54 Methane (Geo)CH4
    55 Methane CH4
    56 Methyl lithium (Geo)H3LiC
    57 Methyl lithiumH3LiC
    58 Carbon, dimer (Geo)C2
    59 AcetyleneC2H2
    60 Acetylene (Geo)C2H2
    61 Vinyl, cationC2H3
    62 VinylC2H3
    63 Ethylene, cationC2H4
    64 Ethylene (Geo)C2H4
    65 EthyleneC2H4


DHf: -17.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 13.6 eV,     REF: D. W. Turner, C. Baker, A. D. Baker, C. R. Brundle, "Molecular Photoelectron Spectroscopy," Wiley-Interscience, London, 1970.
  
 SYMMETRY PM7
Methane
 I=13.6 H=-17.89,0.07 HR=C&P1970 IR=TBBB1970
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.08518904  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.08518904  0  109.4712210  0    0.0000000  0     2     1     0
  H     1.08518904  0  109.4712210  1 -120.0000000  0     2     1     3
  H     1.08518904  0  109.4712210  0  120.0000000  0     2     1     3
 
   2  1    4    5    6
   4  2    5    6