[molpro-user] Excited state geometry optimization with RS2

irudra3 at mail.gatech.edu irudra3 at mail.gatech.edu
Mon Dec 18 18:47:46 GMT 2006

Dear MOLPRO users,
 I am looking for help regrading excited state geometry optimization for a
medium sized (28 atoms) organic molecule without symmetry. From the mail-archive
I understood that it is possible to do so at RS2 level of theory while for MRCI
the molecule might be too big. But from the manual I was unable to find out the
way to give input for this under RS2. I would greatly appreciate if someone can
suggest me a way to do this.

Thanks in advance.


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