PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

formic acid   1051 Formic acid

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    #  Species Formula
  1041 BO2. (Geo)BO2
  1042 Boron oxide hydroxideHBO2
  1043 HOBOHBO2
  1044 Dihydroxyborane(1)H3BO2
  1045 LiBO2LiBO2
  1046 O-B-B-OB2O2
  1047 O-B-B-O (Geo)B2O2
  1048 Carbon dioxideCO2
  1049 Carbon dioxide (Geo)CO2
  1050 Formate, anionHCO2
  1051 Formic acid CH2O2
  1052 Formic acid (Geo)CH2O2
  1053 trans Glyoxal (Geo)C2H2O2
  1054 trans GlyoxalC2H2O2
  1055 Acetate, anionC2H3O2
  1056 Acetic acidC2H4O2
  1057 Methyl formate (Geo)C2H4O2
  1058 Methyl formateC2H4O2
  1059 Dimethyl peroxideC2H6O2
  1060 Ethylene glycolC2H6O2
  1061 H2O - CH3OCH3 (Geo)C2H8O2


ΔHf: -90.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.4 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 11.5 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Formic acid
 DR=NLM1967 D=1.41 I=11.51 IR=LLNBS82 H=-90.5 HR=C&P1970
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20000884 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.35286259 +1  121.5118910 +1    0.0000000 +0     2     1     0
  H     0.98804151 +1  114.8761297 +1    0.0000000 +0     3     2     1
  H     1.08751467 +1  129.9427061 +1  180.0000000 +0     2     1     3