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problem in finding the TS

Gomathi
tgomathi_goms@yahoo.co.in


Hi
I am doing one simple pericyclic reaction. During running for the TS i got an error.
the following is the input and output i have got.


$CONTRL     RUNTYP=SADPOINT   COORD=ZMTMPC       $END                            
$SYSTEM  TIMLIM=600  MEMORY=70000000    $END                                  
$BASIS  GBASIS=N21   NGAUSS=3   NDFUNC=1  NPFUNC=1   $END                      
$STATPT  NSTEP=200      hess=calc    $END            
$SCF     SOSCF=.T.        $END                                                
$DATA                                                                          
pericyclic reactions           :  RHF/3-21G**                



the error shown is

RUN TITLE
    ---------
pericyclic reactions           :  RHF/3-21G**                                  

THE POINT GROUP OF THE MOLECULE IS C1      
THE ORDER OF THE PRINCIPAL AXIS IS     0
ERROR DEFINING ATOM   4
ITS REFERENCE ATOMS   0   0   0 CONTAIN A DUPLICATE


I need the solution.

Thank you

Gomathi


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