Accuracy

1,2,2,2-tetrachloroethane   2604 1,2,2,2-Tetrachloroethane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  2594 Phosphorus thiochloridePSCl3
  2595 Thiophosphoryl chloride (Geo)PSCl3
  2596 B2Cl4B2Cl4
  2597 B2Cl4 (Geo)B2Cl4
  2598 B4Cl4 (Geo)B4Cl4
  2599 Carbon tetrachlorideCCl4
  2600 Carbon tetrachloride (Geo)CCl4
  2601 Tetrachloroethylene (Geo)C2Cl4
  2602 TetrachloroethyleneC2Cl4
  2603 1,1,2,2-TetrachloroethaneC2H2Cl4
  2604 1,2,2,2-Tetrachloroethane C2H2Cl4
  2605 1,2,3,4-TetrachlorobenzeneC6H2Cl4
  2606 1,2,3,5-TetrachlorobenzeneC6H2Cl4
  2607 1,2,4,5-TetrachlorobenzeneC6H2Cl4
  2608 Trichloroacetyl chlorideC2O2Cl4
  2609 2,3,5,6-Tetrachloro-1,4-benzoquinoneC6O2Cl4
  2610 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo)C6O2Cl4
  2611 Mg(II)Cl4(2-) (DUPCOG) (Geo)MgCl4
  2612 Mg(II)Cl4(2-) (DUPCOG)MgCl4
  2613 Magnesium dichloride, dimerMg2Cl4
  2614 Al(III)Cl4(-) (CALZUK) (Geo)AlCl4


ΔHf: -32.4 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
1,2,2,2-Tetrachloroethane
 H=-32.42 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50298811 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.76580203 +1  110.1355688 +1    0.0000000 +0     1     2     0
 Cl     1.75909155 +1  111.5215513 +1  -63.0912228 +1     2     1     3
 Cl     1.77139948 +1  108.5492638 +1  177.9973281 +1     2     1     3
 Cl     1.75867644 +1  111.8501364 +1   59.0390785 +1     2     1     3
  H     1.11193986 +1  112.6936455 +1  177.6285071 +1     1     2     4
  H     1.11196075 +1  112.6674733 +1   56.1530718 +1     1     2     4