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Water input file for serial runs

by Espen Tangen — last modified Jun 25, 2010 10:44 AM

Typical small input file for running g03 in serial. 

%chk=H2O                                    
%mem=500mb        
#p HF/3-21G  opt                            
                                            
Hartree-Fock optimization of water.         
                                            
0 1                                         
O         0.000000    0.000000    0.047929
H         0.000000   -0.813054    0.619662
H         0.000000    0.813054    0.619662       


 


Link to file: Water.inp


 


            
        

    

        

    
        
            
        
    


    
        



    

    
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