Accuracy

be3o3   1306 Be3O3

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

   

    #  Species Formula
  1296 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1297 Imidodicarbonic diamideC2H5N3O2
  1298 HistidineC6H9N3O2
  1299 ArgenineC6H14N4O2
  1300 Ozone (Geo)O3
  1301 OzoneO3
  1302 LiOH.2H2OH5LiO3
  1303 LiOH.2H2O (Geo)H5LiO3
  1304 Li(+)(H2O)3H6LiO3
  1305 Li(+)(H2O)3 (Geo)H6LiO3
  1306 Be3O3 Be3O3
  1307 Boric acid, B(OH)3 (Geo)H3BO3
  1308 TrihydroxyboraneH3BO3
  1309 B2O3B2O3
  1310 Diboron trioxide (Geo)B2O3
  1311 B2O3H2H2B2O3
  1312 B2O3H2 (Geo)H2B2O3
  1313 B3O3H3H3B3O3
  1314 B3O3H3 (Geo)H3B3O3
  1315 1,3,5-TrioxaneC3H6O3
  1316 Methyl hydroxyacetateC3H6O3


ΔHf: -251.9 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
  
 FIELD=(0.1,0.2,0.3) PM7
Be3O3
 H=-251.9 HR=JANAF86
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Be     1.48587370 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     1     2     0
  O     1.49826980 +1  135.8481643 +1    0.0000000 +0     2     1     3
 Be     1.48789461 +1  100.5962093 +1  -12.2199728 +1     4     2     3
  O     1.48774506 +1  140.3800389 +1    3.6200290 +1     5     4     3
 Be     1.49832408 +1  100.7182809 +1   -8.8757620 +1     6     5     3