Accuracy

Cu(II)N2Cl2 (AEPYCC10) r   3673 Cu(II)N2Cl2 (AEPYCC10) (Geo)

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    #  Species Formula
  3663 Cu(+) - H2S (Geo)H2SCu
  3664 Cu(+) - CH3SH (Geo)CH4SCu
  3665 Cu(SH)2H2S2Cu
  3666 Cu(SH)2 (Geo)H2S2Cu
  3667 Copper chlorideClCu
  3668 Copper(I) chlorideClCu
  3669 Copper(I) chloride (Geo)ClCu
  3670 Copper(III) oxide chlorideOClCu
  3671 Copper(III) oxide chloride (Geo)OClCu
  3672 Methyl copper(II) dichloride (Geo)CH3Cl2Cu
  3673 Cu(II)N2Cl2 (AEPYCC10) (Geo) C7H10N2Cl2Cu
  3674 Cu(II)N2Cl2 (AEPYCC10)C7H10N2Cl2Cu
  3675 Cu(II)N3Cl2 (CLAZCU) (Geo)C6H15N3Cl2Cu
  3676 Cu(II)N3Cl2 (CLAZCU)C6H15N3Cl2Cu
  3677 Copper(II) dichloride, dihydrate (Geo)H4O2Cl2Cu
  3678 Cu(II)O2Cl2 (CETDCU10) (Geo)C2H6O2Cl2Cu
  3679 Cu(II)O2Cl2 (CETDCU10)C2H6O2Cl2Cu
  3680 Cu(II)Cl2O2N2 (AQCYCU) (Geo)C4H12N8O2Cl2Cu
  3681 Cu(II)Cl2O2N2 (AQCYCU)C4H12N8O2Cl2Cu
  3682 Cu(II)Cl2S2 (BOSMIF) (Geo)C6H14S2Cl2Cu
  3683 Cu(II)Cl2S2 (BOSMIF)C6H14S2Cl2Cu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PULAY PM7
Cu(II)N2Cl2 (AEPYCC10)
 <Cu-Cl> <><Cl-Cu-Cl> <Cu-N> GR=CCDC
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cu     2.27157000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.24849818 +1   92.7888220 +1    0.0000000 +0     2     1     0
  N     2.01979900 +1   84.9418875 +1  169.6418147 +1     2     1     3
  N     2.00978933 +1   89.9080031 +1  102.9983778 +1     2     1     4
  C     2.79041420 +1  109.9383069 +1 -175.4307693 +1     4     1     2
  C     1.39393000 +1   59.6935079 +1 -142.4654740 +1     6     4     5
  C     1.35542504 +1  117.4286919 +1 -150.6205070 +1     4     2     5
  C     2.43722071 +1   87.3166230 +1  166.0598067 +1     4     2     8
  C     1.49209263 +1  109.4349441 +1  -71.7416147 +1     5     2     1
  H     2.15792675 +1   85.4366264 +1  178.8176920 +1     6     4     7
  H     1.09240285 +1   94.4551181 +1  179.9805336 +1     6    11     4
  H     1.08966755 +1  120.8302668 +1  178.9304453 +1     7     6     4
  H     1.10262579 +1  116.4332980 +1  -19.8259941 +1     8     4     2
  H     1.11095112 +1   93.8543033 +1   69.3546750 +1     9     4     2
  H     1.11127603 +1  139.8157461 +1  116.9313598 +1     9     4    15
  H     1.12297462 +1  108.2881328 +1   67.2910648 +1    10     5     2
  H     1.10899780 +1  112.2426217 +1  116.4068430 +1    10     5    17
  H     1.04636882 +1  104.3782456 +1  116.8099709 +1     5     2    10
  H     1.02159638 +1  117.2726130 +1  115.7528870 +1     5     2    19
  C     1.35856611 +1  119.1110021 +1  -10.5577787 +1     4     2     9
  C     1.08780854 +1   33.9109105 +1    0.4277568 +1    11     6     4