PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
fe(oh)2
3348 Fe(OH)2
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ΔHf: -79.0 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).
QUINTET UHF SYMMETRY PM7
Fe(OH)2
HR=JANAF86 H=-79.0
Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.76257786 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
H 0.89433017 +1 179.9005414 +1 0.0000000 +0 2 1 3
O 1.76257786 +0 180.0000000 +0 0.0000000 +0 1 2 3
H 0.89433017 +0 179.9005414 +0 180.0000000 +0 5 1 3