PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
nitrosyl chloride
2384 Nitrosyl chloride
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ΔHf: 12.4 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: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
I.P.: 10.9 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
PM7
Nitrosyl chloride
H=12.36 HR=JANAF86 I=10.9 IR=LLNBS82 D=1.86 DR=WHSMC03
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.78998070 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.15255980 +1 114.8562310 +1 0.0000000 +0 2 1 0