CI calculation for CuO

From: corrice -8 at 8- siue.edu
Subject: CI calculation for CuO
Date: Thu, 13 Jun 2002 14:58:21 -0500 (CDT)

TO WHOM THIS MAY CONCERN:
 I WAS WONDERING WHAT WAS WRONG WITH THE WAY THIS INPUT FILE WAS SET UP FOR
 G98. I HAVE BEEN HAVE PROBLEMS WITH THIS PARTICULAR ONE. I HAVE TRIED
 DIFFERENT KEYWORDS BUT NOTHING SEEMS TO BE WORKING.
      THE INPUT FILE IS ATTACHED.
 COREY RICE
 SIUE
 CHEMISTRY DEPT.
 CORRICE -8 at 8- SIUE.EDU

%mem=210Mb
 #p UCIS=(maxcycle=3000,NStates=15)/6-311(d)
 TransitionDensities
 FormCheck=(All) Pop=(NPA,Regular)
 scf=(QC,maxcycle=5000) IOp(9/40=5)
 > from cuo
     0    2
 O 0   -1.013351   -0.285889    0.293335
 Cu 0    1.013336    0.285889   -0.293320