$tmpdir /lustre/scratch/tmp/pbs.1444145.ossachilles/m
$lastdiag
$freeze
implicit core= 22 virt= 0
$maxcor  10000 MiB  per_core
$subtitle
GEO,CC2/RI,charge 1,c1,cc-pVTZ,EX-STATE
$denconv    1d-7
$ricc2
cc2 geoopt model=cc2 state=(a 1)
$scfiterlimit    200
$coord    file=coord
$scfconv    7
$grad    file=gradient
$optimize
 internal off
 redundant off
 cartesian on
 global off
$symmetry    c1
$tmole
$basis    file=basis
$cosmo_out    file=out.cosmo
$scfmo   file=mos
$title    GFP-A-cat
$atoms
o 19-20 \
   cbas = o cc-pVTZ                     \
   basis = o cc-pVTZ
n 9-9,11,16 \
   cbas = n cc-pVTZ                     \
   basis = n cc-pVTZ
h 23-46 \
   cbas = h cc-pVTZ                     \
   basis = h cc-pVTZ
c 1-8,10,12-15,17-18,21-22 \
   cbas = c cc-pVTZ                     \
   basis = c cc-pVTZ
$scfdamp     start=0.700 step=0.050 min=0.100
$operating system    unix
$cbas    file=auxbasis
$excitations
irrep=a nexc=5
exprop states=all operators=diplen,qudlen
$closed shells
 a       1-81                                   ( 2 )
$thize     0.10000000E-04
$thime        5
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis
$scforbitalshift  automatic=.1
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=0  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit on
   diag=default
$energy    file=energy
$forceapprox    file=forceapprox
$rundimensions
   natoms=46
   nbf(CAO)=1130
   nbf(AO)=996
$last step     dscf
$restart  dscf  twoint
$charge from dscf
          1.000 (not to be modified here)
$dipole from dscf
  x   -18.36144404073821    y     6.93304700192117    z    12.95016639566188    a.u.
   | dipole | =   59.7675312095  debye
$end