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 cis-Ni(II)(OH)2.(H2O)2r 
 
  3523 cis-Ni(II)(OH)2.(H2O)2 (Geo)
  
   
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  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.
  
 SHIFT=80 PM7
cis-Ni(II)(OH)2.(H2O)2
 <Ni-O> <Ni-O> GR=PW91D
 Ni     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.00773900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.82808400 +1  147.1058021 +1  180.0000000 +0     1     2     0
  O     1.73228629 +1   97.4371490 +1   87.6672268 +1     1     2     3
  O     1.70763620 +1   81.3653726 +1  159.5137056 +1     1     2     4
  H     0.99364871 +1   94.8101626 +1 -153.2349570 +1     2     1     3
  H     1.04114779 +1   85.3707797 +1 -101.2335360 +1     2     1     6
  H     0.96500493 +1  107.9364463 +1  -30.6103124 +1     4     1     2
  H     1.66147313 +1   75.0304065 +1 -112.6131895 +1     4     1     8
  H     1.00087956 +1  100.5865848 +1 -172.4423786 +1     3     1     2
  H     0.96265078 +1  108.7866231 +1  118.8442121 +1     5     1     2