$contrl scftyp=rhf mplevl=0 runtyp=makefp maxit=50 $end $system mwords=55 timlim=99999.0 $end $basis gbasis=N31 NGAUSS=6 NDFUNC=1 NPFUNC=1 $end $SCF DIRSCF=.f. soscf=.f. $END $STATPT NSTEP=200 opttol=0.0001 $END $data Glycine zwitterion (h2o)8 C1 C1 6.0 .6524145029 .8324229208 .8652036699 H2 1.0 .8031991291 1.8469558481 .5305902900 C3 6.0 -.6942086296 .2701315333 .3783681631 N4 7.0 1.7419859801 -.0205372347 .3340123000 H5 1.0 .6829473764 .7995330777 1.9465027787 O6 8.0 -1.5479279637 1.0872844582 .0466256792 O7 8.0 -.7610984588 -.9680403656 .3647969481 H8 1.0 1.4860723373 -.9981453278 .4004586517 H9 1.0 1.8705347438 .1636399585 -.6627649493 H10 1.0 2.6250324591 .0777935612 .8106557879 $END