Accuracy

Cu(II)O4 (ACACCU) r   3629 Cu(II)O4 (ACACCU) (Geo)

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    #  Species Formula
  3619 Cu(II)(NH3)6 (Geo)H18N6Cu
  3620 Cu(II)(en)3 (Geo)C6H24N6Cu
  3621 Copper phthalocyanine (Geo)C32H16N8Cu
  3622 Cu-O (Geo)OCu
  3623 Cu(+) - H2O (Geo)H2OCu
  3624 Cu(+) - CH2O (Geo)CH2OCu
  3625 Cu(+) - CH3OH (Geo)CH4OCu
  3626 Copper (OH)2(H2O) (Geo)H4O3Cu
  3627 Cu(I)(H2O)4 (Geo)H8O4Cu
  3628 Cu(Acac)2C10H14O4Cu
  3629 Cu(II)O4 (ACACCU) (Geo) C10H14O4Cu
  3630 Cu(II)O4 (ACACCU)C10H14O4Cu
  3631 Copper cis-diglycine (Geo)C4H8N2O4Cu
  3632 Copper cis-diglycineC4H8N2O4Cu
  3633 Cu(II)O4N2 (CUAMAC) (Geo)C4H12N2O4Cu
  3634 Cu(II)O4N2 (CUAMAC)C4H12N2O4Cu
  3635 Copper - 3N plus 2O (Geo)C16H11N5O4Cu
  3636 Cu(II)N4(2+) (BUKPOM) (Geo)C4H12N8O4Cu
  3637 Cu(III)N4(-) (BIPLUH) (Geo)C8H12N8O4Cu
  3638 Cu(III)N4(-) (BIPLUH)C8H12N8O4Cu
  3639 Cu(II)(H2O)6H12O6Cu


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)O4 (ACACCU)
 <Cu-O><><O-Cu-O> GR=CCDC
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.90146900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.88743246 +1   94.8940530 +1    0.0000000 +0     1     2     0
  C     1.20771881 +1   71.4638078 +1  -34.6807645 +1     3     1     2
  C     1.49857477 +1  122.3004529 +1 -173.9601978 +1     4     3     1
  C     2.51012512 +1   93.5237351 +1  -38.0009465 +1     2     1     3
  O     1.93599557 +1  102.7598537 +1   89.1587509 +1     1     3     2
  O     3.12766087 +1   46.7059863 +1   90.6978433 +1     1     2     6
  C     1.26558004 +1  107.6052410 +1 -101.9598448 +1     7     1     3
  C     1.19352929 +1   73.5294994 +1   -2.4856077 +1     8     1     2
  C     1.38240975 +1  121.9354917 +1    6.2782206 +1     9     7     1
  C     1.49664387 +1  117.2885425 +1 -179.5652685 +1     9     7    11
  C     1.47790720 +1  128.0704061 +1 -174.6523351 +1    10     8     1
  H     1.09654937 +1  112.3582123 +1 -145.1012075 +1     5     4     3
  H     1.09977972 +1  111.4452976 +1  121.5562047 +1     5     4    14
  H     1.10048988 +1  110.4700979 +1  118.5265578 +1     5     4    15
  H     1.10457730 +1  141.8628518 +1   31.5339460 +1     6     2     1
  H     1.10046020 +1   86.9386442 +1 -112.4354504 +1     6     2    17
  H     1.10140913 +1  103.6299612 +1 -106.8798632 +1     6     2    18
  H     1.10027555 +1  111.0139056 +1   -7.3095489 +1    12     9     7
  H     1.09790444 +1  110.8883670 +1  119.1658641 +1    12     9    20
  H     1.09555836 +1  111.8126727 +1  120.2085661 +1    12     9    21
  H     1.10484484 +1  110.3524167 +1  -82.0420569 +1    13    10     8
  H     1.09996395 +1  113.0371188 +1 -119.5557394 +1    13    10    23
  H     1.10135203 +1  111.5625400 +1 -122.2355191 +1    13    10    24
  H     2.15826587 +1  127.4577792 +1  144.2963861 +1     4     3     5
  H     1.05476787 +1  126.6968013 +1  172.7492939 +1    11     9     7
  C     1.50419124 +1   79.7701120 +1   29.2108427 +1     2     1     6
  C     1.09982415 +1   39.0569424 +1   88.9062440 +1    26     4     3