echo

start tce_polar_ccsd_benzene

#
# Experimental geometry.  See J. Chem. Phys. 127, 144105 (2007) for details.
#
geometry units angstrom
 symmetry d2h
 C               0.000    1.390    0.000
 H               0.000    2.470    0.000
 C               1.204    0.695    0.000
 H               2.139    1.235    0.000
 C               0.000   -1.390    0.000
 H               0.000   -2.470    0.000
 C              -1.204   -0.695    0.000
 H              -2.139   -1.235    0.000
 C               1.204   -0.695    0.000
 H               2.139   -1.235    0.000
 C              -1.204    0.695    0.000
 H              -2.139    1.235    0.000
end

basis spherical
  * library 6-31G*
end

scf
  singlet
  rhf
  thresh 1.0e-10
end

tce
  scf
  freeze core
  ccsd
  io ga
  2eorb
end

set tce:lineresp T
set tce:respaxis T T T
set tce:afreq 0.0

task tce energy
