Accuracy

oxalic acid   1372 Oxalic acid

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    #  Species Formula
  1362 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3
  1363 1,3,5-Triazine-2,4,6(1H,3H,5H)-trioneC3H3N3O3
  1364 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  1365 2,4,6-Trimethoxy-s-triazineC6H9N3O3
  1366 Li(+)(H2O)4H8LiO4
  1367 Li(+)(H2O)4 (Geo)H8LiO4
  1368 Li(I)(H2O)4(+) (BADTUV10) (Geo)H8LiO4
  1369 Li(I)(H2O)4(+) (BADTUV10)H8LiO4
  1370 B(OH)4, anion (Geo)H4BO4
  1371 TetrahydroxydiboraneH4B2O4
  1372 Oxalic acid C2H2O4
  1373 Formic acid, dimer (Geo)C2H4O4
  1374 Formic acid, dimerC2H4O4
  1375 DioxybismethanolC2H6O4
  1376 (C2H4)BO4H2, anion (Geo)H6BC2O4
  1377 1,4-Dioxan-2,5-dioneC4H4O4
  1378 Dimethyl oxalateC4H6O4
  1379 1,3,5,7-TetroxaneC4H8O4
  1380 Dimethyl malonateC5H8O4
  1381 Ethylmalonic acidC5H8O4
  1382 Methylene diacetateC5H8O4


ΔHf: -175.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.2 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
Oxalic acid
 H=-175.0 HR=C&P1970 I=11.2 IR=LLNBS82
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.19844640 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53652525 +1  123.0515472 +1    0.0000000 +0     2     1     0
  O     1.19870157 +1  123.0254187 +1 -179.9919510 +0     3     2     1
  O     1.34187804 +1  115.5007055 +1 -179.9997310 +0     3     2     4
  O     1.34208006 +1  121.4494532 +1 -179.9901720 +0     2     1     3
  H     1.00038616 +1  113.7530893 +1   -0.0000660 +0     5     3     2
  H     1.00056212 +1  113.6693108 +1  179.9979970 +0     6     2     1