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

al(iii)ccl3 (malcld)   2619 Al(III)CCl3 (MALCLD)

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    #  Species Formula
  2609 Trichloroacetyl chlorideC2O2Cl4
  2610 2,3,5,6-Tetrachloro-1,4-benzoquinoneC6O2Cl4
  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
  2621 Al(III)Cl2N2 (MADALC10)C4H12N2Al2Cl4
  2622 Silicon tetrachloride (Geo)SiCl4
  2623 Silicon tetrachlorideSiCl4
  2624 SiCl4N2 (JEPCOW) (Geo)C10H10N2SiCl4
  2625 SiCl4N2 (JEPCOW)C10H10N2SiCl4
  2626 Si2Cl6H2N (GILQEX) (Geo)CH5NSi2Cl4
  2627 Si2Cl6H2N (GILQEX)CH5NSi2Cl4
  2628 Phosphorus tetrachloridePCl4
  2629 Sulfur tetrachlorideSCl4


ΔHf: -237.9 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Al(III)CCl3 (MALCLD)
 H=-237.9 HR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Al     3.14553087 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.21527665 +1   44.7620755 +1    0.0000000 +0     1     2     0
  C     2.01094727 +1  121.1078330 +1   86.0449881 +1     1     2     3
 Cl     2.21391334 +1   44.7895057 +1 -171.8137626 +1     2     1     3
 Cl     2.01313555 +1  123.4970385 +1   85.7103286 +1     2     1     5
  C     2.01358361 +1  109.5684032 +1 -179.9508283 +1     2     1     6
  H     1.14170791 +1   78.0576829 +1 -124.4090760 +1     4     1     2
  H     1.14212466 +1   77.9931202 +1 -113.2293130 +1     4     1     8
  H     1.05936718 +1  150.2173819 +1 -123.2952910 +1     4     1     9
  H     1.05996678 +1  148.0774919 +1   -0.8898644 +1     7     2     1
  H     1.13839181 +1   79.0616000 +1  123.9490497 +1     7     2    11
  H     1.13893565 +1   78.9665138 +1  112.9013423 +1     7     2    12
 Cl     2.01824021 +1  113.2986648 +1  179.7260252 +1     1     2     4