$cosmo
  epsilon=    7.580
  rsolv= 1.30
$cosmo_atoms
# radii in Angstrom units
o  7-24,145-146                                                                \
   radius=  1.7200
c  25-26,29,35-36,39,45-46,49,55-56,59,65-66,69,75-76,79,85-86,89,95-96,99,    \
   105-106,109,115-116,119,125-126,129,135-136,139,149-150,153,159-160,163     \
   radius=  2.0000
h  27-28,30-34,37-38,40-44,47-48,50-54,57-58,60-64,67-68,70-74,77-78,80-84,    \
   87-88,90-94,97-98,100-104,107-108,110-114,117-118,120-124,127-128,130-134,  \
   137-138,140-144,147-148,151-152,154-158,161-162,164-168                     \
   radius=  1.3000
f  169                                                                         \
   radius=  1.7200
v  1-6                                                                         \
   radius=  2.2230
$cosmo_out file=out.ccf
$title
$operating system unix
$symmetry c1
$redundant    file=coord
$user-defined bonds    file=coord
$coord    file=coord
$optimize
 internal   on
 redundant  on
 cartesian  off
 global     off
 basis      off
$atoms
v  1-6                                                                         \
   basis =v def2-TZVP                                                          \
   jbas  =v def2-TZVP
o  7-24,145-146                                                                \
   basis =o def2-TZVP                                                          \
   jbas  =o def2-TZVP
c  25-26,29,35-36,39,45-46,49,55-56,59,65-66,69,75-76,79,85-86,89,95-96,99,    \
   105-106,109,115-116,119,125-126,129,135-136,139,149-150,153,159-160,163     \
   basis =c def2-TZVP                                                          \
   jbas  =c def2-TZVP
h  27-28,30-34,37-38,40-44,47-48,50-54,57-58,60-64,67-68,70-74,77-78,80-84,    \
   87-88,90-94,97-98,100-104,107-108,110-114,117-118,120-124,127-128,130-134,  \
   137-138,140-144,147-148,151-152,154-158,161-162,164-168                     \
   basis =h def2-TZVP                                                          \
   jbas  =h def2-TZVP
f  169                                                                         \
   basis =f def2-TZVP                                                          \
   jbas  =f def2-TZVP
$basis    file=basis
$rundimensions
   dim(fock,dens)=5064084
   natoms=169
   nshell=1183
   nbf(CAO)=3180
   dim(trafo[SAO<-->AO/CAO])=3894
   rhfshells=2
   nbf(AO)=2823
$uhfmo_alpha   file=alpha
$uhfmo_beta   file=beta
$uhf
$alpha shells
 a       1-333                                  ( 1 )
$beta shells
 a       1-327                                  ( 1 )
$scfiterlimit       300
$thize     0.10000000E-04
$thime        5
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis
$maxcor    500 MiB  per_core
$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
$grad    file=gradient
$forceapprox    file=forceapprox
$dft
   functional b3-lyp
   gridsize   m4
$scfconv   6
$scfdamp   start=0.700  step=0.050  min=0.050
$scforbitalshift  closedshell=.05
$disp3
$ricore      500
$rij
$jbas    file=auxbasis
$marij
$last step     ridft
$orbital_max_rnorm 0.18456230652401E-03
$last SCF energy change = -8929.6265
$subenergy  Etot         E1                  Ej                Ex                 Ec                 En                 Disp
-8929.626497550    -55177.15826248     25351.66414899    -552.1663210897    -28.00201841983     21476.38968610    -.3537306529744
$ssquare from ridft
         12.058 (not to be modified here)
$charge from ridft
         -1.000 (not to be modified here)
$dipole from ridft
  x    -0.31400132824814    y    -0.61588939374348    z     0.04214195453766    a.u.
   | dipole | =    1.7604228067  debye
$end