Accuracy

08_CH4_dimer      8 08 Methane methane

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    #  Species Formula
   171 methylammonium ... formaldehydeC2H8NO
   172 methylammonium ... methanolC2H10NO
   173 methylammonium ... methylamineC2H11N2
     1 01 Ammonia dimerH6N2
     2 02 Water dimerH4O2
     3 03 Formic acid dimerC2H4O4
     4 04 Formamide dimerC2H6N2O2
     5 05 Uracil HBC8H8N4O4
     6 06 Pyridoxine - aminopyridineC10H11N3O
     7 07 Adenine - thymine WCC10H11N7O2
     8 08 Methane methane C2H8
     9 09 Ethylene dimerC4H8
    10 10 Benzene - methaneC7H10
    11 11 Benzene dimer stackC12H12
    12 12 Pyrazine dimerC8H8N4
    13 13 Uracil dimer stackC8H8N4O4
    14 14 Indole - benzene stackC14H13N
    15 15 Adenine - thymine stackC10H11N7O2
    16 16 Ethylene - acetyleneC4H6
    17 17 Benzene - waterC6H8O
    18 18 Benzene - ammoniaC6H9N


ΔHf: -0.5 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 PM7
08 Methane methane
 H=-0.53+"08_CH4_DIMER_WELL_SEPARATED" HR=CCSDT HWT=5
  C     0.00000000 +0  -0.00014000 +0   1.85916100 +0
  H    -0.88855100 +0   0.51306000 +0   1.49468500 +0
  H     0.88855100 +0   0.51306000 +0   1.49468500 +0
  H     0.00000000 +0  -1.02633900 +0   1.49486800 +0
  H     0.00000000 +0   0.00008900 +0   2.94828400 +0
  C     0.00000000 +0   0.00014000 +0  -1.85916100 +0
  H     0.00000000 +0  -0.00008900 +0  -2.94828400 +0
  H    -0.88855100 +0  -0.51306000 +0  -1.49468500 +0
  H     0.88855100 +0  -0.51306000 +0  -1.49468500 +0
  H     0.00000000 +0   1.02633900 +0  -1.49486800 +0