PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hydronium, cation
711 Hydronium, cation
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ΔHf: 138.9 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).
CHARGE=1 SYMMETRY PM7
Hydronium, cation
H=138.9 HR=JANAF86
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 0.99350737 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 120.0000000 +0 0.0000000 +0 2 1 0
H 0.99350737 +0 89.9995063 +1 180.0000000 +0 1 2 3
H 0.99350737 +0 89.9995063 +0 60.0000000 +0 1 2 3
H 0.99350737 +0 89.9995063 +0 -60.0000000 +0 1 2 3