PM7 Accuracy

chloroform   2566 Chloroform

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    #  Species Formula
  2556 S-Methyldichlorothiophosphate (Geo)CH3OPSCl2
  2557 ClSSClS2Cl2
  2558 ClSSCl (Geo)S2Cl2
  2559 Cl3(-)Cl3
  2560 Lithium chloride, trimer (guessed) (Geo)Li3Cl3
  2561 Lithium chloride, trimerLi3Cl3
  2562 Boron trichloride (Geo)BCl3
  2563 Boron trichlorideBCl3
  2564 TrichloromethylCCl3
  2565 Chloroform (Geo)HCCl3
  2566 Chloroform HCCl3
  2567 TrichloroethyleneHC2Cl3
  2568 1,1,1-TrichloroethaneC2H3Cl3
  2569 1,2,2-TrichloroethaneC2H3Cl3
  2570 1,2,3-TrichlorobenzeneC6H3Cl3
  2571 1,2,4-TrichlorobenzeneC6H3Cl3
  2572 1,3,5-TrichlorobenzeneC6H3Cl3
  2573 Be(II)Cl3N(-) (FASQUM) (Geo)H7BeC2NCl3
  2574 Be(II)Cl3N(-) (FASQUM)H7BeC2NCl3
  2575 B3N3Cl3H3H3B3N3Cl3
  2576 TrichloroacetaldehydeHC2OCl3


DHf: -24.7 kcal/mol,     REF: D. R. Stull, H. Prophet, Natl. Stand., Ref. Data Ser. (U.S., Natl. Bur. Stand.) NSRDS-NBS 37, 1971.
I.P.: 11.5 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
Chloroform
 H=-24.66 HR=JANAF I=11.48 IR=LLNBS82
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.10726793  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.75613347  1  109.6936161  1    0.0000000  0     2     1     0
 Cl     1.75613347  1  109.6936161  1  120.0000000  0     2     1     3
 Cl     1.75613347  1  109.6936161  1 -120.0000000  0     2     1     3
 
   3  1    4    5
   3  2    4    5