$title
Basisset-optimization for nitrogen SV(P)
$operating system unix
$symmetry oh
#--- uncomment following line to clean the basis-file after optimization ----
#$dump basis set
$coord file=coord
$user-defined bonds file=coord
$pople AO
$basis file=basis
$rundimensions
dim(fock,dens)=141
natoms=1
nshell=6
nbf(CAO)=15
nbf(AO)=14
dim(trafo[SAO<-->AO/CAO])=17
rhfshells=2
$scfmo none file=mos
$roothaan 1
a = 1 b = 2
$scfiterlimit 60
$scfconv 10
$thize 0.10000000E-04
$thime 5
$scfdamp start=1.500 step=0.050 min=0.100
$scfdump
$scfintunit
unit=30 size=90 file=twoint
$scfdiis start=0.5
$scforbitalshift closedshell=.4
$drvopt
cartesian off
#---- optimize basis! -> basis on ----
basis on
global off
hessian on
dipole on
nuclear polarizability
$interconversion off
qconv=1.d-7
maxiter=25
$optimize
internal off
cartesian off
global off
#---- optimize basis! -> basis on logarithm ----
basis on logarithm
$coordinateupdate
dqmax=0.3
interpolate on
statistics 5
$forceupdate
ahlrichs numgeo=0 mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.6
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
#---- optimize basis! -> $egrad file=egradient ----
$egrad file=egradient
$forceapprox file=forceapprox
$lock off
$atoms
n 1 \
basis =n def-SV(P)
$closed shells
a1g 1-2 ( 2 )
$open shells type=1
t1u 1 ( 1 )
$end