CCL: basis set

["Ismael Ortiz Verano" <ieortizv^^^bt.unal.edu.co>]

 Ioana S, you must put in your input (see at end):



Charge multiplicity
 element 1    
 X1   Y1   Z1
  
 .          .    .
    .
   .         
 .    .    .
   
 .          .    .   
 .
element n    
 Xn   Yn   Zn
 
element1 element2
 element3 ... 0
basis1
****
element 10 element11 element12 ...
 0
basis2
****



-- 
Ismael Ortiz Verano
Grupo de
 Química Teórica
 Universidad Nacional de Colombia
Tel: (57)(1) 3165000 ext 10608