You are on page 1of 1

$contrl scftyp=rhf runtyp=optimize dfttyp=b3lyp icharg=0 mult=1 $end

$basis gbasis=n31 ngauss=6 ndfunc=1 npfunc=1 $end


$p2p p2p=.t. dlb=.t. $end
$p2p mxbuf=2048 $end
$contrl nzvar=1 $end
$DATA
Title
C1
......
$END

You might also like