PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

carbonyl chloride   2504 Carbonyl chloride

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    #  Species Formula
  2494 1,2-DichloropropaneC3H6Cl2
  2495 1,2-DichlorobenzeneC6H4Cl2
  2496 1,3-DichlorobenzeneC6H4Cl2
  2497 1,4-DichlorobenzeneC6H4Cl2
  2498 Be(II)Cl2N2 (MECYBC) (Geo)H6BeC4N2Cl2
  2499 Be(II)Cl2N2 (MECYBC)H6BeC4N2Cl2
  2500 Be(II)Cl2N2 (VALHAS) (Geo)H22BeC8N2Cl2
  2501 Be(II)Cl2N2 (VALHAS)H22BeC8N2Cl2
  2502 Chlorine monoxideOCl2
  2503 Cl2O (Geo)OCl2
  2504 Carbonyl chloride COCl2
  2505 Carbonyl chloride (Geo)COCl2
  2506 MethoxydichloroboraneH3BCOCl2
  2507 Be(II)Cl2 (ETBECL) (Geo)H10BeC4OCl2
  2508 Be(II)Cl2 (ETBECL)H10BeC4OCl2
  2509 Cl2O2O2Cl2
  2510 Oxalyl chlorideC2O2Cl2
  2511 Oxalyl chloride (Geo)C2O2Cl2
  2512 Be(II)Cl2O2 (ETBECL01) (Geo)H20BeC8O2Cl2
  2513 Be(II)Cl2O2 (ETBECL01)H20BeC8O2Cl2
  2514 1,1-Dichloro-1-nitro-propaneC3H5NO2Cl2


ΔHf: -52.6 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).
I.P.: 11.8 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.
  
 SYMMETRY PM7
Carbonyl chloride
 H=-52.6 HR=JANAF86 I=11.84 IR=LLNBS82 S=67.75 CP=13.79
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.17935216 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.72618954 +1  123.7685943 +1    0.0000000 +0     2     1     0
 Cl     1.72618954 +1  123.7685943 +1  180.0000000 +1     2     1     3