PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sulfur trioxide
2167 Sulfur trioxide
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ΔHf: -94.6 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).
I.P.: 11.0 eV, REF: H. M. Rosenstock, K. Draxl, B. W. Steiner, J. T. Herron, "Energetics of Gaseous Ions," J. Phys. Ref. Data, 6 Suppl. 1 (1977).
PULAY SYMMETRY PM7
Sulfur trioxide
H=-94.6 HR=JANAF86 I=11.0 IR=RDSH1977
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.42256547 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.42256547 +1 120.0000000 +1 0.0000000 +0 2 1 0
O 1.42256547 +1 120.0000000 +1 180.0000000 +1 2 1 3