$title
water molecule
$operating system unix
$symmetry c1
$coord    file=coord
$user-defined bonds    file=coord
$atoms
o  1                                                                           \
   basis =o def-SV(P)
h  2-3                                                                         \
   basis =h def-SV(P)
$basis    file=basis
$rundimensions
   dim(fock,dens)=211
   natoms=3
   nshell=10
   nbf(CAO)=19
   nbf(AO)=18
   dim(trafo[SAO<-->AO/CAO])=21
   rhfshells=1
$scfmo   file=mos
$closed shells
 a       1-5                                    ( 2 )
$scfiterlimit       30
$scfconv        8
$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
$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   off
   cartesian  on
   global     off
   basis      off   logarithm
$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
$lock off
$last step     grad
$last SCF energy change = -.55349147E-01
$dipole from dscf
  x    -0.25813902519377    y    10.26577690685105    z     0.21516640277343    a.u.
   | dipole | =   26.1071764765  debye
$orbital_max_rnorm 0.10389687914357E-04
$end
