Accuracy

acetate ... methanol    686 acetate ... methanol

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    #  Species Formula
   676 rep739sys053g02pt100abC2H3NClI
   677 rep739sys053g03pt100abC2H3NClI
   678 rep739sys053g04pt100abC2H6ClI
   679 rep739sys054g01pt100abC2N2BrI
   680 rep739sys054g02pt100abC2H3NBrI
   681 rep739sys054g03pt100abC2H3NBrI
   682 rep739sys054g04pt100abC2H6BrI
   683 rep739sys055g01pt100abC2N2I2
   684 rep739sys055g02pt100abC2H3NI2
   685 rep739sys055g03pt100abC2H6I2
   686 acetate ... methanol C3H7O3
   687 acetate ... methylamineC3H8NO2
   688 acetate ... waterC2H5O3
   689 guanidinium ... formaldehydeC2H8N3O
   690 guanidinium ... methanolC2H10N3O
   691 guanidinium ... methylamineC2H11N4
   692 guanidinium ... waterCH8N3O
   693 imidazolium ... formaldehydeC4H7N2O
   694 imidazolium ... methanolC4H9N2O
   695 imidazolium ... methylamineC4H10N3
   696 imidazolium ... waterC3H7N2O


ΔHf: -19.8 kcal/mol,     REF: Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
  
 0SCF HTML CHARGE=-1
acetate ... methanol
 H=-19.753+"acetate ... methanol separated.mop" HR=D3H4_2011 HWT=5
  C    -1.00621546 +0  -0.20356640 +0   0.03932359 +0
  C     0.48710023 +1   0.18592382 +0  -0.03006128 +0
  O     1.30156419 +0  -0.75778538 +1   0.05285781 +0
  O     0.72497370 +0   1.42233194 +0  -0.15963496 +0
  H    -1.22364814 +0  -0.94099175 +0  -0.73355963 +0
  H    -1.20809958 +0  -0.67863850 +0   0.99993545 +0
  H    -1.65441061 +0   0.66157077 +0  -0.08268422 +0
  H     2.32355215 +0   1.97130637 +0  -0.24641134 +0
  O     3.24203815 +0   2.34902069 +0  -0.30449529 +0
  C     4.12001367 +0   1.25745943 +0  -0.23412154 +0
  H     5.14291297 +0   1.63828537 +0  -0.29402888 +0
  H     4.02251263 +0   0.69211193 +0   0.69738642 +0
  H     3.97669684 +0   0.54258936 +0  -1.04997487 +0