Accuracy
 w2(co)10 dianion r 
 
  7407 W2(CO)10 dianion (Geo)
  
   
 (Previous)    
 
 (Back)     
   
 (Next)         
  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=-2 SYMMETRY PULAY PM7
W2(CO)10 dianion
 <W-W> <W-C(eq)> <W-W-C> GR=PW91D
 
  W     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  W     3.44416300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.06041700 +1   83.9524130 +1    0.0000000 +0     2     1     0
  C     2.06041700 +0   83.9524130 +0   90.0000000 +0     2     1     3
  C     2.06041700 +0   83.9524130 +0   90.0000000 +0     2     1     4
  C     2.06041700 +0   83.9524130 +0   90.0000000 +0     2     1     5
  C     2.06041700 +0   83.9524130 +0   45.0000000 +0     1     2     3
  C     2.06041700 +0   83.9524130 +0   90.0000000 +0     1     2     7
  C     2.06041700 +0   83.9524130 +0   90.0000000 +0     1     2     8
  C     2.06041700 +0   83.9524130 +0   90.0000000 +0     1     2     9
  C     2.02905319 +1  180.0000000 +0  180.0000000 +0     1     2     3
  C     2.02905319 +0  180.0000000 +0  180.0000000 +0     2     1     3
  O     1.16792344 +1  120.0177373 +1  180.0000000 +0     3     1     2
  O     1.16792344 +0  120.0177373 +0  180.0000000 +0     4     1     2
  O     1.16792344 +0  120.0177373 +0  180.0000000 +0     5     1     2
  O     1.16792344 +0  120.0177373 +0  180.0000000 +0     6     1     2
  O     1.17179746 +1  180.0000000 +0    0.0000000 +0    12     2     5
  O     1.16792344 +0  120.0177373 +0  180.0000000 +0     7     2     1
  O     1.16792344 +0  120.0177373 +0  180.0000000 +0     8     2     1
  O     1.16792344 +0  120.0177373 +0  180.0000000 +0     9     2     1
  O     1.16792344 +0  120.0177373 +0  180.0000000 +0    10     2     1
  O     1.17179746 +0  180.0000000 +0    0.0000000 +0    11     1     7
 
   3  1    4    5    6    7    8    9   10
   3  2    4    5    6    7    8    9   10
  11  1   12
  13  1   14   15   16   18   19   20   21
  13  2   14   15   16   18   19   20   21
  17  1   22