PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
nitrosyl fluoride
1519 Nitrosyl fluoride
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ΔHf: -15.7 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).
Dipole: 1.8 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 12.9 eV, REF: D. C. Frost, S. T. Lee, C. A. McDowell, N. P. C. Westwood, J. Electron Spectrosc. Relat. Phenom., 7, 331 (1975).
PM7
Nitrosyl fluoride
I=12.94 D=1.81 H=-15.7 HR=JANAF86 IR=FLMW1975 DR=MCC1963
F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.40003941 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.15783353 +1 111.1996252 +1 0.0000000 +0 2 1 0