#!/usr/bin/perl

use strict;

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

use JFile;

use Crystal::MOPAC;
use Crystal::MOLDA;
use Sci qw($todeg $torad acos);

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

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

exit;