[molpro-user] how to use the configurations from a previous mcscf

[Elizete Ventura do Monte]

Dear Molpro users,

I would like to perform a mcscf calculation using SELECT and CON
directives and then save the obtained configurations for subsequent use in an mrci calculation. My
aim is that the reference configurations to be used in the mrci comprises EXACTLY  the same
configurations saved from mcscf. How is the easiest way to do this?
Here is my input (up to
the mcscf part):
 
gprint,orbitals=6,civector   
symmetry,x 
geometry={cl;c,cl,r1;f1,c,r2,cl,theta;f2,c,r2,cl,theta,f1,dih;f3,c,r2,cl,theta,f1,-dih} 
gexpec,dm,sm,qmrr
basis={f=aug-cc-pvdz,c=aug-cc-pvdz,cl=d-aug-cc-pvdz}
r1=1.7512
ang                             

r2=1.3053 ang
theta=110.2
dih=120.0
hf                                  

mcscf
occ,19,8;
closed,16,7;
frozen,5;
wf,50,1,0;state,3;
select
con,2,0,0,2 
con,0,2,0,2 
con,2,2,0,0 
con,1,1,0,2 
con,1,0,1,2
wf,50,2,0;state,2;
con,2,1,0,1 
con,2,0,1,1 
natorb,2140.2;
maxiter,30;

Any help is very welcomed!

Regards,

Elizete Ventura


**********************************************
Elizete Ventura do Monte
Laboratório de Química Quântica Computacional
Departamento de
Química
Universidade Federal da Paraíba
*********************************************
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