[molpro-user] CASPT2 - strange number of active orbitals

[Anastassia Alexandrova]

Hello All!
I am trying to run geometry optimization with CASPT2 (my input is shown below).
However, I get the error of "too many active orbitals", and the active orbital
count does not seem to match what I specify in the input (error message is also
shown below). How can this be?
Additionally, this is just a 15-atom organic molecule. Can I actually do CASPT2
optg for this fairly small species? Thank you much!
Anastassia

***,comment
memory,300,m
basis=6-31G*
geometry={angstrom;
n1;
c2,1,cn2;
h,1,hn3,2,hnc3;
...};

cn2   =    1.300000
hn3   =    1.000000
hnc3  =    117.047
...

gthresh,energy=1.d-6

{uhf;occ,56;wf,112,1,0;maxit,200}
{casscf;occ,62;closed,50;wf,112,1,0;state,2}
{rs2;shift,0.3;state,1,2;option,nstati=2}
{optg;constraint,cn2,bond,atoms=[n1,c2]}
---
error:  TOO MANY ACTIVE ORBITALS: 53 THIS VERSION ALLOWS 32

---------------------------------------
     Anastassia Alexandrova, Ph.D.
           Yale University
       Department of Chemistry
         225 Prospect Street
       New Haven, CT 06520-8107
         Phone: 203-432-6068
          Fax: 203-432-6068
    anastassia.alexandrova at yale.edu
http://zarbi.chem.yale.edu/~anastassia/
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