Accuracy
nitryl chloride
2391 Nitryl chloride
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Geometry predicted using PM7
ΔHf: 2.9 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).
I.P.: 11.4 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
Nitryl chloride
H=2.9 HR=JANAF86 I=11.4 IR=LLNBS82
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.83164893 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.18943883 +1 112.9318748 +1 0.0000000 +0 2 1 0
O 1.18943818 +1 112.9006474 +1 180.0000000 +1 2 1 3