[molpro-user] CASSCF calculation of C4

[Subharaj Hossain]

I am a licensed user from Indian Institute of Science (IISc), Bangalore.
I have been trying to do CASSCF  calculation for triplet(3 SIGMA g state)
C4(linear) and singlet(1 DELTA g)C4(linear) with 12 electrons,12 active
orbitals with cc-pvdz basis set.
However, the calculation is always terminating with message "Coulomb and
exchange operators available. No transformation done.
Number of p-space configurations:  13 insufficient memory available -
require  15180648  have 3290375 the request was for real words
GLOBAL ERROR fehler on processor   0".

Kindly suggest the best possible option recommended for this kind of
problem.
I am attaching the input file of singlet C4 and output file for your kind
information and ready reference.
Thanking you in advance and looking forward to receiving your valuable
suggestions at your earliest convenience.
Best regards,
Subharaj
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***,C4 en sym X3SIG

memory,64,M;

R12=1.33238842 ang
R23=1.31792697 ang

geometry={
C1
C2,c1,R12
Q1,c2,1.0,c1,90.0
C3,c2,R23,q1,90.0,c1,180.0
Q2,c3,1.0,c2,90.0,q1,0.000
C4,c3,R12,q2,90.0,c2,-180.0
}

basis=cc-pvdz

hf                    !Perform HF calculation
{multi,                 !active space 12orbital 12elec
closed,3,0,0,0,3,0,0,0    !3 inactive orbital in sym SSG and SSU
occ,5,2,2,0,5,2,2,0     !occupied orbital 
wf,24,4,0;            !WF,elec,sym,spin=2*S 
state,1
print,orbitals,civector;
}

CI;
optg; 
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