No subject

[Apostolos Kalemos]

Dear molpro users,

trying to calculate the frequencies at the rspt2 (casscf+pt2) level 
of theory using the following input:


************************************
multi
maxiter,20;
config,csf;
occ,9,3,3,;
closed,3,,,,
start,2140.2;
wf,17,1,1;
state,4;
lquant,0,0,0,0;
expec2,lzz;
natorb,2140.2,ci,print=5
pop;density,2140.2,state=1.1;individual;
pop;density,2140.2,state=2.1;individual;
pop;density,2140.2,state=3.1;individual;
pop;density,2140.2,state=4.1;individual;
!
!
rs2;
occ,9,3,3,,;
core,3,,,,
orbit,2140.2;
wf,17,1,1;
maxiter,955,1000
dm,3000.2;
natorb,3000.2,5;
pop;density,record=3000.2,state=1.1;individual;
optg;
!
!
!
frequencies;
print,force;
print,imag;
****************************************

i got the following and admittedly not illuminating exit error:

****************************************

  PROGRAM * FREQUENCIES     Author: F. Eckert

  CALCULATING HARMONIC VIBRATIONAL FREQUENCIES FOR RS2

  CURRENT STACK:      MAIN
****************************************


Any advice will be welcomed!

apostolos kalemos


-- 
*****************
Apostolos KALEMOS
Post-Doctoral Research Associate
Joint Institute for Computational Science
University of Tennessee - Oak Ridge National Laboratory
1 Bethel Valley Road, PO Box 2008, Bldg. 6010, Room 104
Oak Ridge, Tennessee 37831-6414, USA
Phone  : + (865) 576-3265
E-mail : kalemosa at ornl.gov