[molpro-user] What's wrong with my input?

[GHOFFMAN]

I have been trying to adapt my input files to the format changes made, but there is still a problem.  I'm trying to run a calculation on the fluorine molecule.  Below is my output file (the first portion of which is my input file).  What is my mistake?

Thank you.

Gerry Hoffman


v
 Primary working directories    : /tmp/ghoffman
 Secondary working directories  : /tmp/ghoffman
 Wavefunction directory         : /home/ghoffman/wfu/
 Main file repository           : /tmp/ghoffman/

 ARCHNAME  : Linux/i686
 FC        : /usr/bin/gfortran
 FCVERSION : 4.3.2
 BLASLIB   : -L/usr/lib -lblas
 id        : edinb

 Nodes     nprocs
 claymore     1
 ga_uses_ma=false, calling ma_init with nominal heap.
 GA-space will be limited to   8.0 MW (determined by -G option)

 MPP tuning parameters: Latency=     0 Microseconds,   Broadcast speed=    0 MB/sec
 default implementation of scratch files=df

 ***,F2 (singlet ground state)
 memory,40,M
 int; x,y,z;
 geometry
 ang
 F1
 F2 , rad
 end
 rad=1.5

 basis
 default=avqz
 spdfg,F,avqz
 s,F,0.034376;c,1.1,1.00;
 p,F,0.026272;c,1.1,1.00;
 d,F,0.0828;c,1.1,1.00;
 end

 {hf;wf,18,1,0;}

 {multi;
 occ,3,1,1,0,2,1,1,0;
 wf,26,1,0;}

 {ccsd(t);wf,18,1,0;}

 optg

 {multi;
 occ,3,1,1,0,3,1,1,0;
 closed,2,1,1,0,2,1,1,0;
 wf,18,1,0;
 state,2;}

 {ci;wf,26,1,0;state,2;}

 optg


 Variables initialized (632), CPU time= 0.00 sec
 Commands  initialized (426), CPU time= 0.03 sec, 469 directives.
 Default parameters read. Elapsed time= 0.08 sec
 Checking input...

 Unknown command or directive X

 GLOBAL ERROR checkinp on processor   0


Gerald J. Hoffman
Assistant Professor of Chemistry
Edinboro University of Pennsylvania
Edinboro, PA 16444

814-732-2813

ghoffman at edinboro.edu