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Re^3: geometry optimization in the presence of electric field

Alex Granovsky
gran@classic.chem.msu.su

Dear Patrick,

as suggested by Firefly: 


> INTERNALS DO NOT WORK WITH THE $EFIELD FOR RUNTYP = OPTIMIZE

you should use Cartesian coordinates rather than internals
for optimization with electric field turned on: 

$CONTRL NZVAR=33 $END

Kind regards,
Alex Granovsky

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