ΔHf: -57.8 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: 1.9 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967). I.P.: 12.6 eV, REF: D. W. Turner, C. Baker, A. D. Baker, C. R. Brundle, "Molecular Photoelectron Spectroscopy," Wiley-Interscience, London, 1970.
SYMMETRY PM7
Water
I=12.62 D=1.85 H=-57.8000 HR=JANAF86 DR=NLM1967 IR=TBBB1970
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 0.95546860 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 0.95546860 +0 105.3958874 +1 0.0000000 +0 2 1 0