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venkataramanan
venkataramananns@gmail.com

Thank you very much for your reply. I corrected the input file as directed by you and run the calcuation. I once again got error due to Memory problem. Then in gave the comand
$SYSTEM                                                      
MWORDS=12
$END
and rerun the calcuation. Once again i got the same memeory error. I am enclosing both the input and output files for you suggestion.

WIth thanks in advance

WIsh you a very happy X-Mass

Sincerely
Venkataramanan


On Mon Dec 24 '07, Alex Granovsky wrote
---------------------------------------
>Hi,

>the corrected input for your job is as follows:

>

! Minimize (Energy/Geometry) B3LYP/DZV     
 $CONTRL ICHARG=2 MAXIT=100 MULT=3 RUNTYP=OPTIMIZE 
 SCFTYP=UHF DFTTYP=B3LYP5 $END           
 $SYSTEM MWORDS=20 TIMLIM=10000 $END           
 $BASIS GBASIS=TZV POLAR=POPLE $END           
 $SCF DIRSCF=.true. $END           
 $STATPT nstep=1000 $end
 $DATA          
enc             
C1            
.....

>Best regards,
>Alex Granovsky
>

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