CCL:G: question about Gaussian03 PCM calculation



 Sent to CCL by: "Yu Adam Zhang" [yzhang[-]chem.ubc.ca]
 hi, all
     I want to do some pcm calculations with Gaussian03. As many people
 complained on ccl, my opt calculation failed. Once I learned from one post on
 ccl that specifying the molecular cavity might help (using scrf=(read,...) and
 an additional input line). So I wrote my input file as following:
 %mem=500mb
 %nproc=2
  b3lyp/6-31g** scrf=(pcm,solvent=h2o,read) opt
 title
 0 1
  C
  C                  1              B1
 .. ...
    D32           -1.25323616
    D33         -121.20303534 end of molecular geometry specification
 RADII=UAKS
 (blank line)
 (end of input file)
 but this input file didn't work:(. It always gave a error message like:
 ......
  Using the following non-standard input for PCM:
   1 2 1.5 5 1.0 9 1.0
  ------------------------------------------------------------------------------
  The following wrong keyword(s) have been found:
  1.0
  ------------------------------------------------------------------------------
  Error termination via Lnk1e in /usr/apps/g03_c02/g03/l301.exe at Mon Mar 27
 17:26:26 2006.
 ......
     What can I do to get out of mistake? Thank you very much if you can give me
 hand!
 Yu