PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
aluminum oxide hydroxide
1823 Aluminum oxide hydroxide
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ΔHf: -110.0 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=(0.1,0.2,0.1) PM7
Aluminum oxide hydroxide
HR=JANAF86 H=-110
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Al 1.59153311 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
O 1.62932157 +1 179.6543046 +1 180.0000000 +0 2 1 3
H 0.91360352 +1 175.9746497 +1 -161.6306426 +1 4 2 3