FOR CASE R(O-O) = 2.4 ANGSTROMS
COORDINATES OF ALL ATOMS ARE (ANGS)
ATOM CHARGE X Y Z
O 8.0 0.0000000000 0.0000000000 0.0000000000
H 1.0 0.5207186904 0.7863514167 0.0000000000
H 1.0 -0.9120470117 0.2419899735 0.0000000000
O 8.0 2.4000000000 0.0000000000 0.0000000000
H 1.0 2.1199893172 -0.5003160140 -0.7490871409
H 1.0 2.1199893172 -0.5003160140 0.7490871409
INTERNUCLEAR DISTANCES (ANGS)
O H H O
1 O 0.0000000 0.9431312 * 0.9436042 * 2.4000000 *
2 H 0.9431312 * 0.0000000 1.5326927 * 2.0371664 *
3 H 0.9436042 * 1.5326927 * 0.0000000 3.3208756
4 O 2.4000000 * 2.0371664 * 3.3208756 0.0000000
5 H 2.3034327 * 2.1850197 * 3.2102016 0.9433205 *
6 H 2.3034327 * 2.1850197 * 3.2102016 0.9433205 *
H H
1 O 2.3034327 * 2.3034327 *
2 H 2.1850197 * 2.1850197 *
3 H 3.2102016 3.2102016
4 O 0.9433205 * 0.9433205 *
5 H 0.0000000 1.4981743 *
6 H 1.4981743 * 0.0000000
* ... LESS THAN 3.000
