$scales mscal=1.82284475d3, escal=2.194746d5, $end $masses xm1=20.164901d0, xm2=1.007825d0, xm3=1.007825d0, $end $packet etrans=0.04, xcenter=14., eteil=8.d0, $end $relax $end $sca sp1c=-8.d0, sp1z=16.0d0, sp2c=-8.0d0, sp2z=6.0d0, nlevstart=1, igauss=1, ispli=1, eana=0.05, $end $grid xanf=0.0001d0,xend=20.0d0, yanf=0.0001d0,yend=8.0d0, zanf=-5000.d0,zend=5000.d0, npoinx=256, npoiny=32, npoinz=8, $end $gen tol=1.e-10, nstep=600, cheat=6.0, echeat = 1.0d0, dt=200.0d0, bitstr='0101000100110100', etol=1.e-7, nlev=19, iold=1, isymz=0, title='***** NeH2(+) *** Energie:etrans ca. 0.04au *****', iplot=1, $end $potopt ivopt=1, opa1=0.061,oprb1=6.0,opra1=2.0, opa2=0.061,oprb2=18.0,opra2=2.0, $end $files $end $potneha cutoff=0.1d0, $end