[molpro-user] USING ANO basis in MOLPRO

G Mahesh gmahesh at students.iiserpune.ac.in
Tue Apr 29 07:07:38 BST 2014


Dear MOLPRO users,

Can any body explain how to use ano basis set in MOLPRO?

For example ANO-S basis set contracted to C, N, O [3s2p1d]/H[2s1p]  (or)
ANO-RCC basis set with a contraction [4s3p2d1f] for carbon and oxygen atoms
and [3s2p1d] for hydrogen, How can I specify this type of basis sets in
MOLPRO.


Thanks
Mahesh
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