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Antonio Carlos Borin
ancborin@iq.usp.br

I want to use pure spherical d, f, and g functions in my calculations.

For that, I´ve included the keyword d5=.t. in $contrl, besides the command line

$d5 d5=.true. f7=.true  g9=.true. $end

The input is attached.

It seems that I´m doing something wrong. The number of basis sets obtained is:  A'  = 295  A'' = 130; this is wrong, because it is the same I´ve got withoud the keywords mentioned above.

Could you, please, give a hint?

Best,
Antonio

This message contains the 17 kb attachment [ adenine-cc-pVTZ-rhf-5d.inp ] input for spherical harmonics