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

thionyl chloride   2550 Thionyl chloride

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    #  Species Formula
  2540 DichlorodimethylsilaneC2H6SiCl2
  2541 Phosphorus dichloridePCl2
  2542 PCl2(C2H5)C2H5PCl2
  2543 OPCl2OPCl2
  2544 Methylphosphonic dichlorideCH3OPCl2
  2545 MethylphosphonodichlorideCH3OPCl2
  2546 Ethylphosphonic dichlorideC2H5OPCl2
  2547 Sulfur dichloride (Geo)SCl2
  2548 Sulfur dichlorideSCl2
  2549 Thionyl chloride (Geo)OSCl2
  2550 Thionyl chloride OSCl2
  2551 Sulfuryl chloride (Geo)O2SCl2
  2552 Sulfuryl chlorideO2SCl2
  2553 O-Methyldichlorothiophosphate (Geo)CH3OPSCl2
  2554 S-Methyldichlorothiophosphate (Geo)CH3OPSCl2
  2555 ClSSClS2Cl2
  2556 ClSSCl (Geo)S2Cl2
  2557 Cl3(-)Cl3
  2558 Lithium chloride, trimer (guessed) (Geo)Li3Cl3
  2559 Lithium chloride, trimerLi3Cl3
  2560 Boron trichloride (Geo)BCl3


ΔHf: -50.8 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, T. Hawlow, S. M. Bailey, R. H. Schumm, Natl. Bur. Stand. (U.S.), Tech. Note, No 270-3 (1968) and "Errata in NBS Technical Note 270-8" (1981).
I.P.: 11.1 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
Thionyl chloride
 H=-50.8 HR=WEPH1968 I=11.1 IR=LLNBS82
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.43973885 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.06343891 +1  108.7461620 +1    0.0000000 +0     1     2     0
 Cl     2.06345569 +1  108.7130203 +1  104.7733352 +1     1     2     3