LiH Input File

$CONTRL SCFTYP=RHF $END
$BASIS GBASIS=STO NGAUSS=6 $END
$DATA
LiH for plot...
CNV 4


LITHIUM 3.0 0.0 0.0 -1.25
HYDROGEN 1.0 0.0 0.0 1.25
$END
$GUESS GUESS=MINGUESS $END
$ELDENS IEDEN=1 WHERE=GRID OUTPUT=PUNCH MORB=2 $END
$GRID ORIGIN(1)=O,-2,-2 XVEC(1)=0,-2,2 YVEC(1)=0,2,-2 SIZE=0.1
$END

Notes:

1. Must use all capital letters.
2. $CONTRL, $BASIS, $DATA, $END, $GUESS, $ELDENS, $GRID must be in space 2.