[molpro-user] request for knowing the symmetry number to be given for a radical

[ashutosh gupta]

Dear sir,
i am trying to find out the single point energy of
interaction of a methyl radical with singlet and
triplet oxygen atom with the aid of ccsdt/aug-cc-pvtz.

i am unable to assign symmetry no. in both cases (in
the wavefunction).

can anyone help me in this regard. 

pl let me know the symmetry no. to be assigned for the
above system.

thanking you.
ashutosh gupta
iit kanpur india.

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