Accuracy

cu_(oh)2(h2o)r   3626 Copper (OH)2(H2O) (Geo)

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    #  Species Formula
  3616 Cu(+) - CH3NH2 (Geo)CH5NCu
  3617 Cu(II)(NH3)4 (Geo)H12N4Cu
  3618 Cu(II)N4(2+) (ABUCUP) (Geo)C8H24N4Cu
  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


REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
  
 UHF PM7
Copper (OH)2(H2O)
 <Cu-O(H2)> <Cu-O(H)><O-Cu-O> <Cu-O(H)> <O-Cu-O> GR=B88_LYP
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.14900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.88700000 +1   77.9000000 +1    0.0000000 +0     1     2     0
  O     1.81400000 +1  138.5000000 +1 -179.6338636 +1     1     2     3
  H     1.00536970 +1   94.9490580 +1  -20.4537726 +1     2     1     3
  H     0.96809048 +1  114.7298110 +1   84.6061636 +1     2     1     3
  H     0.90396715 +1  129.1052233 +1  166.2463471 +1     3     1     2
  H     0.89860868 +1  136.9379432 +1  -12.9065631 +1     4     1     2