$title
dvb_Opt_B3_LYP_sto_3g
$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
c  1-5,9-10,14,16,19                                                           \
   basis =c sto-3g
h  6-8,11-13,15,17-18,20                                                       \
   basis =h sto-3g
$basis    file=basis
$scfmo   file=mos
$closed shells
 a       1-35                                   ( 2 )
$scfiterlimit      500
$thize     0.10000000E-04
$thime        5
$scfdamp   start=  0.300  step=  0.050  min=  0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis
$maxcor   9537 MiB  per_core
$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
$grad    file=gradient
$forceapprox    file=forceapprox
$dft
   functional b3-lyp
   gridsize   m3
$scfconv   7
$denconv     0.10000000E-06
$rundimensions
   natoms=20
   nbf(CAO)=60
   nbf(AO)=60
$last step     dscf
$last SCF energy change = -.59946217E-07
$charge from dscf
         -0.000 (not to be modified here)
$dipole from dscf
  x    -0.00000000000115    y     0.00004442116646    z    -0.00000000000260    a.u.
   | dipole | =    0.0001129082  debye
$optinfo       file=optinfo
$hessapprox   file=hessapprox
$orbital_max_rnorm 0.65134759842962E-06
$end
