No geometry and basis in the database


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Just Got Here
Thanks Rasmus, my job submission file is attached above, but I use qsub "sub. file" to submit the job. My input file is an input file from the example directory at nwchem-6.6/examples/tcepolar/ccsd_polar_small.nw

echo

start ccsd_polar_small

#
# R = 2.068 bohr
#
geometry units au
 symmetry d2h
 N  0  0 -1.034
 N  0  0  1.034
end

basis spherical
 * library aug-cc-pVDZ
end

scf
  singlet
  rhf
  thresh 1e-8
end

tce
  scf
  ccsd
  io ga
  2eorb
end

task tce energy