Accuracy

10_benzene_methane     10 10 Benzene - methane

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    #  Species Formula
   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 methaneC2H8
     9 09 Ethylene dimerC4H8
    10 10 Benzene - methane C7H10
    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
    19 19 Benzene - HCNC7H7N
    20 20 Benzene dimer T"C12H12


ΔHf: -1.5 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 PM7
10 Benzene - methane
 H=-1.50+"10_BENZENE_METHANE_WELL_SEPARATED" HR=CCSDT HWT=5
  C     1.39321800 +0   0.03629100 +0  -0.63328000 +0
  C     0.72803600 +0  -1.18840200 +0  -0.63330200 +0
  C    -0.66518000 +0  -1.22470800 +0  -0.63328000 +0
  C    -1.39320400 +0  -0.03629700 +0  -0.63330200 +0
  C    -0.72803800 +0   1.18841600 +0  -0.63328000 +0
  C     0.66516800 +0   1.22469900 +0  -0.63330200 +0
  H     2.47427400 +0   0.06444800 +0  -0.63172400 +0
  H     1.29295900 +0  -2.11054100 +0  -0.63174000 +0
  H    -1.18132300 +0  -2.17500800 +0  -0.63172400 +0
  H    -2.47426100 +0  -0.06446500 +0  -0.63174000 +0
  H    -1.29295100 +0   2.11056000 +0  -0.63172400 +0
  H     1.18130300 +0   2.17500600 +0  -0.63174000 +0
  C     0.00000000 +0   0.00000000 +0   3.08261900 +0
  H     0.58687800 +0   0.83817400 +0   3.44637700 +0
  H    -1.01931900 +0   0.08916400 +0   3.44637700 +0
  H     0.00000000 +0   0.00000000 +0   1.99667000 +0
  H     0.43244100 +0  -0.92733800 +0   3.44637700 +0