Accuracy

tetrahydroxydiborane   1371 Tetrahydroxydiborane

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    #  Species Formula
  1361 LEU-LEUC12H24N2O3
  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 Tetrahydroxydiborane H4B2O4
  1372 Oxalic acidC2H2O4
  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


ΔHf: -292.8 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Tetrahydroxydiborane
 H=-292.8.0 HR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.63766629 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.40373985 +1  123.8982145 +1    0.0000000 +0     2     1     0
  O     1.40365508 +1  123.8620183 +1   89.7546836 +1     1     2     3
  O     1.40370087 +1  123.9121450 +1  -90.2530996 +1     1     2     3
  O     1.40368662 +1  123.8582676 +1 -179.9770662 +1     2     1     3
  H     0.95442433 +1  119.2499060 +1    0.0569391 +1     3     2     1
  H     0.95435951 +1  119.2977807 +1    0.0177720 +1     4     1     2
  H     0.95443412 +1  119.2654760 +1    0.0246104 +1     5     1     2
  H     0.95434036 +1  119.2846028 +1    0.0075889 +1     6     2     1