PM7 Accuracy

1,2,3,4-tetrachlorobenzene   2608 1,2,3,4-Tetrachlorobenzene

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

   

    #  Species Formula
  2598 Thiophosphoryl chloride (Geo)PSCl3
  2599 B2Cl4B2Cl4
  2600 B2Cl4 (Geo)B2Cl4
  2601 B4Cl4 (Geo)B4Cl4
  2602 Carbon tetrachlorideCCl4
  2603 Carbon tetrachloride (Geo)CCl4
  2604 Tetrachloroethylene (Geo)C2Cl4
  2605 TetrachloroethyleneC2Cl4
  2606 1,1,2,2-TetrachloroethaneC2H2Cl4
  2607 1,2,2,2-TetrachloroethaneC2H2Cl4
  2608 1,2,3,4-Tetrachlorobenzene C6H2Cl4
  2609 1,2,3,5-TetrachlorobenzeneC6H2Cl4
  2610 1,2,4,5-TetrachlorobenzeneC6H2Cl4
  2611 Trichloroacetyl chlorideC2O2Cl4
  2612 2,3,5,6-Tetrachloro-1,4-benzoquinoneC6O2Cl4
  2613 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo)C6O2Cl4
  2614 Mg(II)Cl4(2-) (DUPCOG) (Geo)MgCl4
  2615 Mg(II)Cl4(2-) (DUPCOG)MgCl4
  2616 Magnesium dichloride, dimerMg2Cl4
  2617 Al(III)Cl4(-) (CALZUK) (Geo)AlCl4
  2618 Al(III)Cl4(-) (CALZUK)AlCl4


DHf: -6.1 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
1,2,3,4-Tetrachlorobenzene
 H=-6.07 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39208460  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39324277  1  119.3236790  1    0.0000000  0     2     1     0
  C     1.39204132  1  119.3198278  1    0.0421706  1     3     2     1
  C     1.39098014  1  121.3168641  1   -0.0276507  1     4     3     2
  C     1.39101330  1  121.3118460  1   -0.0377844  1     1     2     3
 Cl     1.69829398  1  118.3177864  1  179.9665283  1     1     2     3
 Cl     1.69316774  1  120.4061378  1  179.9950014  1     6     1     2
 Cl     1.69841578  1  118.2970600  1  179.9689853  1     4     3     2
 Cl     1.69313449  1  120.4106647  1  179.9705731  1     5     4     3
  H     1.09340040  1  120.6536506  1  179.9828574  1     2     1     6
  H     1.09334410  1  119.9804188  1 -179.9587129  1     3     2     1