Accuracy

04_formamide_dimer      4 04 Formamide dimer

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    #  Species Formula
   167 imidazolium ... formaldehydeC4H7N2O
   168 imidazolium ... methanolC4H9N2O
   169 imidazolium ... methylamineC4H10N3
   170 imidazolium ... waterC3H7N2O
   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 dimer C2H6N2O2
     5 05 Uracil HBC8H8N4O4
     6 06 Pyridoxine - aminopyridineC10H11N3O
     7 07 Adenine - thymine WCC10H11N7O2
     8 08 Methane methaneC2H8
     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


ΔHf: -16.0 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 PM7
04 Formamide dimer
 H=-15.96+"04_FORMAMIDE_DIMER SEPARATED.MOP" HR=CCSDT HWT=10
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.22906559 +0    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.34241403 +0  125.4874391 +0    0.0000000 +0     1     2     0
  H     1.00326080 +0  119.2193709 +0 -179.9999991 +0     3     1     2
  H     1.02261290 +0  120.7298580 +0    0.0000000 +0     3     1     2
  H     1.10042826 +0  120.9126974 +0  180.0000000 +0     1     2     3
  O     1.84056220 +0  174.3416407 +0    0.0000000 +0     5     3     1
  C     1.22906559 +0  119.4410622 +0    0.0000000 +0     7     5     3
  N     1.34241403 +0  125.4874391 +0    0.0000000 +0     8     7     5
  H     1.00326080 +0  119.2193709 +0 -179.9999991 +0     9     8     7
  H     1.02261290 +0  120.7298580 +0    0.0000000 +0     9     8     7
  H     1.10042826 +0  120.9126974 +0  180.0000000 +0     8     7     5