$symmetry c1
$coord    file=coord
$title
dvb_un_sp test
$operating system unix
$uff
         1         1          0 ! maxcycle,modus,nqeq
    111111                      ! iterm
  0.10D-07  0.10D-04            ! econv,gconv
      0.00  1.10                ! qtot,dfac
  0.10D+03  0.10D-04       0.30 ! epssteep,epssearch,dqmax
        25      0.10       0.00 ! mxls,dhls,ahls
      1.00      0.00       0.00 ! alpha,beta,gamma
         F         F          F ! transform,lnumhess,lmd
$uffhessian file=uffhessian0-0
$ufftopology file=ufftopology
$forceinit on
carthess
$hessian file=uffhessian0-0
$user-defined bonds    file=coord
$atoms
c  1-2,4,6-7,9,11,14,16,19                                                     \
   basis =c sto-3g hondo
h  3,5,8,10,12-13,15,17-18,20                                                  \
   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=2
$uhfmo_alpha   file=alpha
$uhfmo_beta   file=beta
$uhf
$scfiterlimit       30
$thize     0.10000000E-04
$thime        5
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$forceapprox    file=forceapprox
$energy    file=energy
$grad    file=gradient
$lock off
$dft
   functional b3-lyp
   gridsize   m3
$scfconv   6
$scfdamp   start=0.700  step=0.050  min=0.050
$scforbitalshift  closedshell=.05
$alpha shells
 a       1-35                                   ( 1 )
$beta shells
 a       1-34                                   ( 1 )
 a       1-34                                   ( 1 )
$last step     dscf
$last SCF energy change = -.36497454E-07
$dipole from dscf
  x     2.32633788417070    y     0.00003695005371    z     1.39556173435857    a.u.
   | dipole | =    6.8953753312  debye
$optinfo       file=optinfo
$hessapprox   file=hessapprox
$orbital_max_rnorm 0.64955568900029E-05
$end
