PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
phosphine
1946 Phosphine
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ΔHf: 1.3 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: 0.6 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 10.0 eV, REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
SYMMETRY PM7
Phosphine
H=1.3 HR=JANAF86 D=0.578 I=9.98 DR=NLM1967 IR=CRC
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
P 1.49932776 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.49932776 +0 100.4677527 +1 0.0000000 +0 2 1 0
H 1.49932776 +0 100.4677527 +0 102.8231084 +1 2 1 3