CCL: CASSCF Problem



Dear CCLs,

I am doing a casscf calculation at 6-31g(d) level. as following:

%nprocshared=4
 Will use up to    4 processors via shared memory.
 %chk=E:\Project\casscf1.chk
 ----------------------------------------------------------------
 #p casscf(3,4,uno)/6-31g(d) nosymm guess=read geom=connectivity
 ----------------------------------------------------------------
 1 2
molecule specification

I get the following error

initial guess read from the checkpoint file:  E:\Project\casscf1.chk
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess natural orbitals from previous density.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
 Leave Link  401 at Sat May 08 21:19:52 2010, MaxMem=   33554432 cpu:       2.0
 (Enter C:\G09W\l405.exe)

Out-of-memory error in routine OMatEl (IEnd=      33553462 MxCore=      33553432)
 Use %mem=33MW to provide the minimum amount of memory required to complete this step.
 Error termination via Lnk1e in C:\G09W\l405.exe at Sat May 08 21:19:52 2010.
 Job cpu time:  0 days  0 hours  0 minutes  3.0 seconds.
 File lengths (MBytes):  RWF=     10 Int=      0 D2E=      0 Chk=      3 Scr=      1

I changed the %mem=33MW several times trying %mem=100MW to %mem=150MW

but I got a similar error. The primary SP job at uhf/6-31g(d) to check orbitals was successful.

Please note that with 3-21g(d) basis I do not get this error; however; the results are not very accurate.

Thanks beforehand for your suggestions.

Regards,
SS