[molpro-user] symmetry in molpro

[Grant Hill]

Dear Pierre,

For your second input

> 
> If now I give the alternative data:
> {rhf;
> 
> wf,85,1,1;
> closed,22,14,4,2;
> open  , 1,0,0,0 }

I think you have an error on the open card. It should probably be something like:

open,23.1

See: http://www.molpro.net/info/2012.1/doc/manual/node153.html

Best wishes,

Grant