$title NH3 c3v SVP $operating system unix $symmetry c3v $coord file=coord $intdef file=coord $atoms n 1 \ basis =n def-SVP h 2-4 \ basis =h def-SVP $pople AO $basis file=basis $rundimensions dim(fock,dens)=495 natoms=4 nshell=15 nbf(CAO)=30 nbf(AO)=29 dim(trafo[SAO<-->AO/CAO])=69 rhfshells=1 $scfmo file=mos $closed shells a1 1-3 ( 2 ) e 1 ( 2 ) $scfiterlimit 30 $scfconv 7 $thize .10000000E-04 $thime 5 $scfdamp start= .500 step= .050 min= .100 $scfdump $scfintunit unit=30 size=0 file=twoint $scfdiis start=0.5 $drvopt cartesian on basis off global off hessian on dipole on nuclear polarizability $interconversion off qconv=1.d-10 maxiter=25 $optimize internal on cartesian off 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=0.1 threig=0.005 reseig=0.005 thrbig=3.0 scale=1.00 damping=0.0 $forceinit on diag=default $energy file=energy $grad file=grad $forceapprox file=force $lock off $last step define $end