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 ca(ii)cl4o2(2-) (dilxol) r 
 
  2790 Ca(II)Cl4O2(2-) (DILXOL) (Geo)
  
   
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  REF:  The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=-2 PM7
Ca(II)Cl4O2(2-) (DILXOL)
 <Ca-Cl> <><Cl-Ca-Cl> <Ca-O> GR=CCDC
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.74874500 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.70799464 +1   97.2194830 +1    0.0000000 +0     1     2     0
  O     2.32891100 +1   69.8180055 +1  -71.1923663 +1     1     2     3
  H     0.97970426 +1  109.1113391 +1  -68.9422518 +1     4     1     2
  H     0.97656168 +1  109.9015072 +1  113.3416623 +1     4     1     5
 Cl     2.64296701 +1   72.0855238 +1  102.5962999 +1     1     4     2
 Cl     2.61413489 +1  138.0630319 +1  179.7863064 +1     1     2     4
  O     2.34900550 +1   70.6299259 +1  -42.0165925 +1     1     2     8
  H     0.97737233 +1  109.9023407 +1  -30.0536895 +1     9     1     2
  H     0.97834259 +1  108.4824136 +1 -113.0120685 +1     9     1    10