#!/usr/bin/perl

use strict;

use lib 'd:/Programs/Perl/lib';

use JFile;

use Crystal::MOPAC;
use Crystal::MOLDA;

#my $infile = "C2H4.mld";
#my $outfile  = "C2H4-out.dat";
my $infile = "C6H5OH.mld";
my $outfile  = "C6H5OH-out.dat";

my $mol = MOLDA->new()->ReadMldFile($infile, 1, 0) or die "$!: Can not read [$infile]\n";
MOPAC->new()->SaveDatFileFromMolecule($outfile, $mol, 1) or die "$!: Can not write to [$outfile].\n";

exit;