PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
aluminum dioxide
1821 Aluminum dioxide
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ΔHf: -20.6 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) OPEN(1,1) PULAY PM7
Aluminum dioxide
H=-20.6 HR=JANAF86
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Al 1.70482463 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.56943185 +1 175.4915940 +1 0.0000000 +0 2 1 0