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

trichloromethyl   2562 Trichloromethyl

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    #  Species Formula
  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
  2561 Boron trichlorideBCl3
  2562 Trichloromethyl CCl3
  2563 Chloroform (Geo)HCCl3
  2564 ChloroformHCCl3
  2565 TrichloroethyleneHC2Cl3
  2566 1,1,1-TrichloroethaneC2H3Cl3
  2567 1,2,2-TrichloroethaneC2H3Cl3
  2568 1,2,3-TrichlorobenzeneC6H3Cl3
  2569 1,2,4-TrichlorobenzeneC6H3Cl3
  2570 1,3,5-TrichlorobenzeneC6H3Cl3
  2571 Be(II)Cl3N(-) (FASQUM) (Geo)H7BeC2NCl3
  2572 Be(II)Cl3N(-) (FASQUM)H7BeC2NCl3


I.P.: 8.3 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
Trichloromethyl
 I=8.28 IR=LLNBS82
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     0.49998442 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.65757792 +1   89.7534926 +1    0.0000000 +0     2     1     0
 Cl     1.65757792 +0   89.7534926 +0  120.0000000 +0     2     1     3
 Cl     1.65757792 +0   89.7534926 +0 -120.0000000 +0     2     1     3