PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
fe(co)4h2
3358 Fe(CO)4H2
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ΔHf: -131.0 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).
SYMMETRY PULAY PM7
Fe(CO)4H2
HR=JANAF86 H=-131.0
Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.77640524 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.77640524 +0 90.0000000 +0 0.0000000 +0 1 2 0
C 1.77640524 +0 180.0000000 +0 0.0000000 +0 1 2 3
C 1.77640524 +0 90.0000000 +0 180.0000000 +0 1 2 3
O 1.15213032 +1 180.0000000 +0 0.0000000 +0 2 1 3
O 1.15213032 +0 180.0000000 +0 0.0000000 +0 3 1 2
O 1.15213032 +0 180.0000000 +0 0.0000000 +0 4 1 3
O 1.15213032 +0 180.0000000 +0 0.0000000 +0 5 1 2
H 1.56568990 +1 90.0000000 +0 90.0000000 +0 1 2 3
H 1.56568990 +0 90.0000000 +0 -90.0000000 +0 1 2 3