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Re: *** ERROR, ILLEGAL POINT GROUP=D6H CHOSEN. In Coronene molecule
Alex Granovsky
gran@classic.chem.msu.su
Hi,the correct syntax is:
$DATA
Coronene
Dnh 6
C 6.0 -1.5701000000 -3.4411000000 -0.0001000000
etc...
Kind regards,
Alex Granovsky
Wed Dec 19 '12 12:22pm
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