PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sulfuric acid
2179 Sulfuric acid
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ΔHf: -175.7 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).
PULAY PM7
Sulfuric acid
H=-175.7 HR=JANAF86
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.64122677 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.64192194 +1 98.6459357 +1 0.0000000 +0 1 2 0
O 1.42915983 +1 106.6203092 +1 -112.9562166 +1 1 2 3
O 1.42938576 +1 109.0083793 +1 110.7836813 +1 1 2 3
H 0.97159072 +1 116.4689616 +1 94.0828798 +1 2 1 3
H 0.97166629 +1 116.4039271 +1 93.9685401 +1 3 1 2