CASSCF & MRCI geometry optimization and frequencies calculations

[Aleksey Kuznetsov]

Dear Molpro Users,

I'm trying to do geometry optimization and frequencies calculations for Li2O
C2V structure (1B1 state), using the following structure of input file:

***, li2o
memory,8,M
geometry={O;Li1,O,r;Li2,O,r,Li1,alpha}
r=1.83 angstrom;
alpha=105;
gprint,orbitals,civector,pairs
basis=6-311+g*
uhf;occ,5,1,2,0;closed,4,0,2,0;wf,14,2,2;
multi;occ,7,2,3,1;closed,2,0,1,0;core,2,0,1,0;wf,14,2,0;maxiter,300;
ci,wf,14,2,0;maxiter,100,100;
optg,maxiter=100,gaussian;
frequencies;
print,low,img;
put,molden,li2o_C2V_1B1.log

But this job fails in the beginning of the geometry optimization, giving in
log-file the following message:

?START RECORD 2140.2 CORRESPONDS TO DIFFERENT GEOMETRY
ERROR EXIT

Could anybody please explain me what the problem is? Is my input for
geometry optimizations under CASSCF and MRCI correct or should it be changed
somehow? 

Thank you very much in advance.

Yours Sincerely,

Aleksey Kuznetsov.