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