$operating system unix
$title
$symmetry c1
$redundant    file=coord
$coord    file=coord
$user-defined bonds    file=coord
$atoms
c  1-5,9-10,14,16,19                                                           \
   basis =c sto-3g hondo
h  6-8,11-13,15,17-18,20                                                       \
   basis =h sto-3g hondo
$basis    file=basis
$rundimensions
   dim(fock,dens)=1860
   natoms=20
   nshell=40
   nbf(CAO)=60
   nbf(AO)=60
   dim(trafo[SAO<-->AO/CAO])=60
   rhfshells=1
$scfmo   file=mos
$closed shells
 a       1-35                                   ( 2 )
$scfiterlimit       30
$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
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=8  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 off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$dft
   functional b-p
   gridsize   m3
$scfconv   6
$scfdamp   start=0.700  step=0.050  min=0.050
$last step     dscf
$last SCF energy change = -.13852053E-06
$dipole from dscf
  x    -0.00000000098042    y    -0.00002375939221    z    -0.00000000453110    a.u.
   | dipole | =    0.0000603908  debye
$maximum norm of cartesian gradient = 0.73909788E-04
$maximum norm of internal gradient = 0.11733791E-03
$orbital_max_rnorm 0.29411194062008E-04
$end
