GAMESS Solvation Problems



Dear all,
 I am trying to use PCM to do a geometry optimization of
 a large molecule (65 atoms, using 6-31G basis set, totally
 277 basis functions) in water. The input file is attached
 in the following (except the coordinates of the solute because
 it is quite lenthy). The check run told me that everything
 should be OK. But when I ran it, I got this error message:
 WARNING : MAX NUMBER OF BASIS FUNCTIONS = 199
 This error occurred soon after the 2-electrion gradient was
 calculated and then GAMESS terminated. The restriction of
 basis set size of GAMESS is 361 if dirscf=.false. or 2047 if
 dirscf=.true. It was odd that I got the above error message.
 Dose any one have the idea what's happening and how can I solve
 this problem? Thank you in advance.
 Jeff Klauda
 **********My Input File***********************************************
  $contrl scftyp=rhf runtyp=hessian exetyp=run coord=unique units=angs
          nosym=1 maxit=90 inttyp=hondo icut=11 itol=30 $end
  $force method=numeric $end
  $system memory=40000000 timlim=50000 $end
  $basis gbasis=n31 ngauss=6 ndfunc=0 npfunc=0
         diffsp=.false. diffs=.false. $end
  $guess guess=huckel $end
  $scf dirscf=.true. $end
  $pcm icomp=2 icav=0 tabs=298.15 irep=0 idp=0
       solvnt=water wb=0.463478811 eta2=1.7689 rsolv=1.35
       nesfp=1 icent=1 $end
  $newcav iptype=2 itsnum=540 rhow=0.998 pm=18.0 neval=8 $end
  $pcmcav xe(1)=0.002356 ye(1)=-0.006233 ze(1)=-0.121768 rin(1)=6.0
          alpha(1)=1.1 $end
  $data
   ........OMITTED............
  $end
 *******************************************************************
 --
 ***************************************
 Jeffery Klauda
 Ph.D. Canidate in Chemical Eng.
 University of Delaware
 119 Colburn Lab
 Newark, DE 19702
 Phone: (302) 831-6857
 Fax: (302) 831-1048
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