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

2,3,5,6-tetrachloro-1,4-benzoquinone   2610 2,3,5,6-Tetrachloro-1,4-benzoquinone

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2600 Carbon tetrachlorideCCl4
  2601 Carbon tetrachloride (Geo)CCl4
  2602 Tetrachloroethylene (Geo)C2Cl4
  2603 TetrachloroethyleneC2Cl4
  2604 1,1,2,2-TetrachloroethaneC2H2Cl4
  2605 1,2,2,2-TetrachloroethaneC2H2Cl4
  2606 1,2,3,4-TetrachlorobenzeneC6H2Cl4
  2607 1,2,3,5-TetrachlorobenzeneC6H2Cl4
  2608 1,2,4,5-TetrachlorobenzeneC6H2Cl4
  2609 Trichloroacetyl chlorideC2O2Cl4
  2610 2,3,5,6-Tetrachloro-1,4-benzoquinone C6O2Cl4
  2611 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo)C6O2Cl4
  2612 Mg(II)Cl4(2-) (DUPCOG) (Geo)MgCl4
  2613 Mg(II)Cl4(2-) (DUPCOG)MgCl4
  2614 Magnesium dichloride, dimerMg2Cl4
  2615 Al(III)Cl4(-) (CALZUK) (Geo)AlCl4
  2616 Al(III)Cl4(-) (CALZUK)AlCl4
  2617 LiAlCl4LiAlCl4
  2618 Al(III)CCl3 (MALCLD) (Geo)C2H6Al2Cl4
  2619 Al(III)CCl3 (MALCLD)C2H6Al2Cl4
  2620 Al(III)Cl2N2 (MADALC10) (Geo)C4H12N2Al2Cl4


ΔHf: -44.4 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
2,3,5,6-Tetrachloro-1,4-benzoquinone
 H=-44.4 HR=WHSMC03
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.68251055 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.48785612 +1  114.8452290 +1    0.0000000 +0     2     1     0
  C     1.48785055 +1  114.5305556 +1  179.9796405 +1     3     2     1
  C     1.33739731 +1  122.7503779 +1   -0.0544660 +1     4     3     2
  C     1.48787020 +1  122.7052807 +1   -0.0026715 +1     5     4     3
  C     1.33738608 +1  122.4210103 +1  179.9317435 +1     2     1     3
  O     1.20147050 +1  122.7199920 +1  179.9855208 +1     3     2     4
  O     1.20147575 +1  122.7425061 +1 -179.8912720 +1     6     5     4
 Cl     1.68263930 +1  114.8050152 +1 -179.9868659 +1     4     3     5
 Cl     1.68245908 +1  122.4759975 +1  179.9888937 +1     5     4     6
 Cl     1.68259484 +1  122.4429230 +1    0.1125341 +1     7     2     1