Accuracy
hydrogen sulfide (h2s)
1459 Hydrogen sulfide (H2S)
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Geometry predicted using PM7
ΔHf: -4.9 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).
Dipole: 1.0 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 10.4 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).
SYMMETRY
Hydrogen sulfide (H2S)
H=-4.9 HR=JANAF86 I=10.43 D=.9740 DR=MCC1974 IR=RDSH1977
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.33893007 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.33893007 +0 96.9350277 +1 0.0000000 +0 2 1 0
2 1 3