Accuracy
cyanogen chloride
2362 Cyanogen chloride
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Geometry predicted using PM7
ΔHf: 31.6 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: 2.8 Debye, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
Cyanogen chloride
H=31.6 HR=JANAF86 D=2.80 DR=WHSMC03 S=56.45 CP=10.75
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.61439990 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.15436847 +1 180.0000000 +1 0.0000000 +0 2 1 0