Subject: GAMESS problem

From: "Tapas Kar" <[email-masked]>
Date: Fri, 12 May 2000 10:56:43 -0500

Hi GAMESS experts/users,
I got the following error while doing a MOROKUMA analysis. What's make a
change to Normal termination of the job.

 PWRT: NODE   0 ENCOUNTERED I/O ERROR WRITING UNIT   8
 EXECUTION OF GAMESS TERMINATED ABNORMALLY

Input file:
 $CONTRL SCFTYP=RHF RUNTYP=MOROKUMA ICHARG= 0 MULT=1 UNITS=BOHR $END
 $basis  gbasis=n311 ngauss=6 ndfunc=3 npfunc=3 DIFFSP=.TRUE.
  DIFFS=.TRUE. $end
 $MOROKM iatm(1)=7 $END
 $DATA
hoc(o)ooh-h2o geometry
C1       1

Second question:
How to include H's d function in the basis set?
Tapas

----------------------------------------------------
Tapas Kar
Department of Chemistry
1245 Lincoln Dr. # 146F
Southern Illinois University
Carbondale, IL 62901-4409

Tel: 618-453-6485(Off)/6433(Lab)
Fax: 618-453-6408

email: [email-masked]
            [email-masked]