[molpro-user] second derivative in mcscf

[Oded Godsi]

Dear All,
is it possible to calculate second derivatives of the energy in mcscf  
calculation when more then 1 state is calculated. i.e. for two states.

cheers
oded


Oded Godsi  godsi at rsc.anu.edu.au
Research School of Chemistry, Room E101
The Australian National University
Canberra, ACT 0200, Australia

Phone (61 2) 6125 8307
Fax (61 2) 6125  5995




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