[molpro-user] Finite Field Calculation

[Utpal Sarkar]

Dear Molpro Users,
           I want do calculate the dipole moments along the 
Y-direction of a molecule. I can't understand whether should I use 
optg keyward after defining the field or not or the field keyword itself 
gives the optimized geometry and the dipole moment. My input is given 
below.

   ***,test
   memory,64,m
   basis=6-31G
   geomtyp=xyz
   geometry={angstrom,
   37
   0 au field along perp.
   Here is XYZ coordinate of the molecule
   }
   hf
   optg

   f=0.5
   field,dmy,f
   hf

    So should I use the optg keyword after the line "field,dmy,f" or  the
field keyword itself  give  the  properties after optimization in the
presence of electric field?

   Thanking you in advance
   With best regards
   Utpal Sarkar

---------------------
Dr. Utpal Sarkar
C/o: Professor Klaus Richter
Institute for Theoretical Physics
University of Regensburg
Germany