[molpro-user] pl help
ashutosh_gupta_2001 at yahoo.com
Fri Jun 23 18:15:24 BST 2006
Dear molpro user,
please help me in the following:
i am trying to do single point energy calculation with
the aid of ccsdt method (aug-cc-pvtz basis set) on the
systems that is CH3O radical. in one case this has
multiplicity 2 and in the other it has 4.
someone please let me know as to what symmetry no.
should i give in the wavefunction input.
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