PM7 Accuracy

cyanogen chloride   2365 Cyanogen chloride

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    #  Species Formula
  2355 Be(II)(Cp)Cl (JEFKIO) (Geo)H5BeC5Cl
  2356 Be(II)(Cp)Cl (JEFKIO)H5BeC5Cl
  2357 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl
  2358 ChlorobenzeneC6H5Cl
  2359 Chlorobenzene (Geo)C6H5Cl
  2360 Benzyl chlorideC7H7Cl
  2361 1-Chloro-4-ethylbenzeneC8H9Cl
  2362 1-ChloronaphthaleneC10H7Cl
  2363 2-ChloronaphthaleneC10H7Cl
  2364 Cyanogen Chloride (Geo)CNCl
  2365 Cyanogen chloride CNCl
  2366 Cyanogen chloride (Geo)CNCl
  2367 3-Chloro-4-methylanilineC7H8NCl
  2368 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl
  2369 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2370 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl
  2371 Chlorine oxideOCl
  2372 Chlorine monoxide (Geo)OCl
  2373 Hypochlorous acidHOCl
  2374 Lithium oxychloride (Geo)LiOCl
  2375 Lithium hypochloriteLiOCl


DHf: 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