Accuracy

b3o3(oh)3   1441 B3O3(OH)3

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    #  Species Formula
  1431 15-Crown-5C10H20O5
  1432 LiNO3.2H2OH4LiNO5
  1433 LiNO3.2H2O (Geo)H4LiNO5
  1434 Dinitrogen pentoxideN2O5
  1435 SER-SERC6H12N2O5
  1436 THR-THRC8H16N2O5
  1437 Li(+)(H2O)5.OHH11LiO6
  1438 Li(+)(H2O)5.OH (Geo)H11LiO6
  1439 Li(+)(H2O)6H12LiO6
  1440 Li(+)(H2O)6 (Geo)H12LiO6
  1441 B3O3(OH)3 H3B3O6
  1442 Tri-acetyl borate (Geo)H9BC6O6
  1443 Tri-acetyl borateH9BC6O6
  1444 Trimethyl methanetricarboxylateC7H10O6
  1445 Triethyl methanetricarboxylateC10H16O6
  1446 Triethyl 1,1,1-ethanetricarboxylateC11H18O6
  1447 Li(I)O6(+) (COLGEP) (Geo)H30LiC12O6
  1448 Li(I)O6(+) (COLGEP)H30LiC12O6
  1449 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1450 Li(I)O6(+) (LOLNOP01)H30LiC12O6
  1451 Li(I)O4 (FECWIT) (Geo)H10LiC6NO6


ΔHf: -521.9 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
B3O3(OH)3
 H=-521.9 HR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.41060564 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.40120151 +1  118.3871438 +1    0.0000000 +0     2     1     0
  O     1.41084786 +1  121.5949981 +1    0.0344177 +1     3     2     1
  B     1.40116403 +1  118.4169385 +1   -0.0110049 +1     4     3     2
  O     1.41075610 +1  121.5770604 +1   -0.0617160 +1     5     4     3
  O     1.39659687 +1  118.7518973 +1 -179.9574162 +1     1     6     5
  O     1.39662192 +1  119.5617070 +1 -179.9868574 +1     5     6     1
  O     1.39657543 +1  118.8440475 +1 -179.9296514 +1     3     2     1
  H     0.96656810 +1  114.2264194 +1 -179.9912494 +1     7     1     6
  H     0.96657886 +1  114.2113627 +1    0.0108101 +1     8     5     6
  H     0.96660708 +1  114.2198615 +1 -179.9986426 +1     9     3     2