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DFT calculation of Benzene

Energy calculation of Benzene at DFT(B-P86) level using SVP basis set. Integration grid is set to m4 (scf_grid=m4). A title is specified (%title). A statistics run is performed before the energy calculation (gen_stat=1). The options are continued in the next line (& at the end of the line).

%title
DFT calculation of Benzol
%method
ENRGY :: b-p/SVP [gen_stat=1,scf_msil=99,& 
                  scf_grid=m4] 
%charge 
0
%coord 
     .00000000000000     -2.68300008773804       .00000000000000  c   
     .00000000000000     -4.74300003051758       .00000000000000  h   
     .00000000000000     -1.34150004386902     -2.32354623433702  c   
     .00000000000000     -2.37150001525879     -4.10755851657859  h   
     .00000000000000     -1.34150004386902      2.32354623433702  c   
     .00000000000000     -2.37150001525879      4.10755851657859  h   
     .00000000000000      1.34150004386902     -2.32354623433702  c  
     .00000000000000      2.37150001525879     -4.10755851657859  h   
     .00000000000000      1.34150004386902      2.32354623433702  c   
     .00000000000000      2.37150001525879      4.10755851657859  h  
     .00000000000000      2.68300008773804       .00000000000000  c  
     .00000000000000      4.74300003051758       .00000000000000  h  
%end




TURBOMOLE