Accuracy
be3o3
1306 Be3O3
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Geometry predicted using PM7
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