PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

cd(ii)br.5(h2o)r   5393 Cd(II)Br.5(H2O) (Geo)

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    #  Species Formula
  5383 Cd(II)N2Cl2 (CDPYCL) (Geo)C10H10N2Cl2Cd
  5384 Cd(II)N2Cl2 (CDPYCL)C10H10N2Cl2Cd
  5385 Cd(II)S2Cl2 (CTURCD) (Geo)C2H8N4S2Cl2Cd
  5386 Cd(II)S2Cl2 (CTURCD)C2H8N4S2Cl2Cd
  5387 Cd(II)S2N2Cl2 (TCHZCD) (Geo)C2H12N8S2Cl2Cd
  5388 Cd(II)S2N2Cl2 (TCHZCD)C2H12N8S2Cl2Cd
  5389 Cd(II)Cl4(2-) (QNLCDC10) (Geo)Cl4Cd
  5390 Cd(II)Cl4(=)Cl4Cd
  5391 Cd(II)Cl4(=) (Geo)Cl4Cd
  5392 Cd(II)Br.5(H2O)H10O5BrCd
  5393 Cd(II)Br.5(H2O) (Geo) H10O5BrCd
  5394 Cadmium dibromideBr2Cd
  5395 Cadmium dibromide (Geo)Br2Cd
  5396 Cd(II)S2Br2 (PEKSUT) (Geo)C2H8N4S2Br2Cd
  5397 Cd(II)S2Br2 (PEKSUT)C2H8N4S2Br2Cd
  5398 Cd(II)Br4(2-) (MAMCDB) (Geo)Br4Cd
  5399 Cd(II)Br4(2-) (MAMCDB)Br4Cd
  5400 Cd(II)Br4(=)Br4Cd
  5401 Cd(II)Br4(=) (Geo)Br4Cd
  5402 [Cd(II)2(CN)7](3-)C7N7Cd2
  5403 [Cd(II)2(CN)7](3-) (Geo)C7N7Cd2


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.
  
 CHARGE=1 PM7
Cd(II)Br.5(H2O)
 <Cd-Br> <Cd-O> GR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.55220100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.45727000 +1  149.9883355 +1    0.0000000 +0     1     2     0
  O     2.29050962 +1  117.8500565 +1   94.6203421 +1     1     2     3
  O     2.33820633 +1   97.7901528 +1   73.5388867 +1     1     2     4
  O     2.38130126 +1   84.3619141 +1  173.6957114 +1     1     2     5
  O     2.28353040 +1  102.8590393 +1  119.7673281 +1     1     6     2
  H     0.99539005 +1  104.5451495 +1  171.3375700 +1     7     1     6
  H     0.98593826 +1  110.0318174 +1  108.9170216 +1     7     1     8
  H     0.98232628 +1  111.6904479 +1  -41.7604755 +1     4     1     2
  H     0.99290775 +1  106.1747079 +1 -111.8283199 +1     4     1    10
  H     0.97796259 +1  112.4198990 +1  -67.3961069 +1     6     1     2
  H     0.98065148 +1  110.3611719 +1  114.4610655 +1     6     1    12
  H     0.98333659 +1  105.8754166 +1  -16.3615519 +1     3     1     2
  H     0.97926523 +1  105.9626659 +1 -109.6624728 +1     3     1    14
  H     0.98245879 +1  110.4235955 +1   -5.7606819 +1     5     1     2
  H     0.98511930 +1  107.4103742 +1 -112.3034872 +1     5     1    16