$cosmo
  epsilon=    7.580
  rsolv= 1.30
$cosmo_atoms
# radii in Angstrom units
o  6-20,121-122                                                                \
   radius=  1.7200
c  21-22,25,31-32,35,41-42,45,51-52,55,61-62,65,71-72,75,81-82,85,91-92,95,    \
   101-102,105,111-112,115,123-124,127,133-134,137                             \
   radius=  2.0000
h  23-24,26-30,33-34,36-40,43-44,46-50,53-54,56-60,63-64,66-70,73-74,76-80,    \
   83-84,86-90,93-94,96-100,103-104,106-110,113-114,116-120,125-126,128-132,   \
   135-136,138-144                                                             \
   radius=  1.3000
v  1-5                                                                         \
   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  1-5                                                                         \
   basis =v def2-TZVP                                                          \
   jbas  =v def2-TZVP
o  6-20,121-122                                                                \
   basis =o def2-TZVP                                                          \
   jbas  =o def2-TZVP
c  21-22,25,31-32,35,41-42,45,51-52,55,61-62,65,71-72,75,81-82,85,91-92,95,    \
   101-102,105,111-112,115,123-124,127,133-134,137                             \
   basis =c def2-TZVP                                                          \
   jbas  =c def2-TZVP
h  23-24,26-30,33-34,36-40,43-44,46-50,53-54,56-60,63-64,66-70,73-74,76-80,    \
   83-84,86-90,93-94,96-100,103-104,106-110,113-114,116-120,125-126,128-132,   \
   135-136,138-144                                                             \
   basis =h def2-TZVP                                                          \
   jbas  =h def2-TZVP
$basis    file=basis
$rundimensions
   dim(fock,dens)=3608565
   natoms=144
   nshell=1002
   nbf(CAO)=2684
   dim(trafo[SAO<-->AO/CAO])=3284
   rhfshells=2
   nbf(AO)=2384
$uhfmo_alpha   file=alpha
$uhfmo_beta   file=beta
$uhf
$alpha shells
 a       1-279                                  ( 1 )
$beta shells
 a       1-274                                  ( 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 0.18506883717767E-03
$last SCF energy change = -7422.7899
$subenergy  Etot         E1                  Ej                Ex                 Ec                 En                 Disp
-7422.789920440    -42057.43974790     19143.36732733    -460.3615626174    -23.40151177669     15975.33497602    -.2894014939533
$ssquare from ridft
          8.797 (not to be modified here)
$charge from ridft
         -0.000 (not to be modified here)
$dipole from ridft
  x     1.38262703442936    y     0.67172616339079    z    -0.40202268313096    a.u.
   | dipole | =    4.0385255702  debye
$end