Accuracy

formate, anion    889 Formate, anion

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    #  Species Formula
   879 N,N-diethylureaC5H12N2O
   880 CEB (Torsion angle) (Geo)C13H12N2O
   881 1D88_B3P (Torsion angle) (Geo)C14H14N2O
   882 4-Amino-2(1H)-pyrimidinoneC4H5N3O
   883 2ME_B3P (Torsion angle) (Geo)C22H26N4O
   884 Oxygen (Singlet)O2
   885 Hydrogen peroxide (Geo)H2O2
   886 Hydrogen peroxideH2O2
   887 Carbon dioxideCO2
   888 Carbon dioxide (Geo)CO2
   889 Formate, anion HCO2
   890 Formic acidCH2O2
   891 Formic acid (Geo)CH2O2
   892 trans Glyoxal (Geo)C2H2O2
   893 trans GlyoxalC2H2O2
   894 Acetate, anionC2H3O2
   895 Acetic acidC2H4O2
   896 Methyl formate (Geo)C2H4O2
   897 Methyl formateC2H4O2
   898 Dimethyl peroxideC2H6O2
   899 Ethylene glycolC2H6O2


ΔHf: -106.6 kcal/mol,     REF: J. E. Bartmess, R. T. McIver, "Gas Phase Ion Chemistry," Academic Press, New York, 1979, Vol. II.
  
 CHARGE=-1
Formate, anion
 H=-106.6 HR=BM1979
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.24391531 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.24414167 +1  127.7944379 +1    0.0000000 +0     2     1     0
  H     1.10811448 +1  116.2646287 +1  180.0000000 +1     2     1     3