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Re^2: *** ERROR, ILLEGAL POINT GROUP=D6H CHOSEN. In Coronene molecule

Siddheshwar Chopra
sidhusai@gmail.com

Dear Sir,
    As suggested by you I have tried to make the changes and run the input again. But unfortunately I get some error :Unable to read ..... Please find the Coronene.out file for your reference. However when I performed the same calculations with "C1"  , it finishes the job well.

On Wed Dec 19 '12 12:22pm, Alex Granovsky wrote
-----------------------------------------------
>Hi,

>the correct syntax is:

>

 $DATA                                                                          
 Coronene                                                                        
 Dnh  6

 C 6.0     -1.5701000000   -3.4411000000   -0.0001000000                    
etc...

>Kind regards,
>Alex Granovsky

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