Accuracy

b2o3h2   1311 B2O3H2

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1301 OzoneO3
  1302 LiOH.2H2OH5LiO3
  1303 LiOH.2H2O (Geo)H5LiO3
  1304 Li(+)(H2O)3H6LiO3
  1305 Li(+)(H2O)3 (Geo)H6LiO3
  1306 Be3O3Be3O3
  1307 Boric acid, B(OH)3 (Geo)H3BO3
  1308 TrihydroxyboraneH3BO3
  1309 B2O3B2O3
  1310 Diboron trioxide (Geo)B2O3
  1311 B2O3H2 H2B2O3
  1312 B2O3H2 (Geo)H2B2O3
  1313 B3O3H3H3B3O3
  1314 B3O3H3 (Geo)H3B3O3
  1315 1,3,5-TrioxaneC3H6O3
  1316 Methyl hydroxyacetateC3H6O3
  1317 GlycerolC3H8O3
  1318 Trimethoxyborane (Geo)H9BC3O3
  1319 TrimethoxyboraneH9BC3O3
  1320 Maleic anhydrideC4H2O3
  1321 Acetic anhydrideC4H6O3


ΔHf: -166.8 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.
  
 SYMMETRY PM7
B2O3H2
 H=-166.8 HR=PW91D
 
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.40928252 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.40928252 +0  103.4162732 +1    0.0000000 +0     2     1     0
  O     1.42565712 +1  112.5297920 +1    0.0000000 +0     3     2     1
  O     1.42565712 +0  112.5297920 +0    0.0000000 +0     1     2     3
  H     1.16911778 +1  125.9531506 +1  180.0000000 +0     1     2     3
  H     1.16911778 +0  125.9531506 +0  180.0000000 +0     3     2     1
 
   2  1    3
   4  1    5
   6  1    7
   4  2    5
   6  2    7