FOR CASE R(O-O) =4.0 ANGSTROMS
COORDINATES OF ALL ATOMS ARE (ANGS)
ATOM CHARGE X Y Z
O 8.0 0.0000000000 0.0000000000 0.0000000000
H 1.0 0.9367123688 -0.1295898053 0.0000000000
H 1.0 -0.1427872875 0.9321826567 0.0000000000
O 8.0 4.0000000000 0.0000000000 0.0000000000
H 1.0 4.5066071938 -0.2396086916 -0.7589937690
H 1.0 4.5066071938 -0.2396086916 0.7589937690
INTERNUCLEAR DISTANCES (ANGS)
O H H O
1 O 0.0000000 0.9456340 * 0.9430550 * 4.0000000
2 H 0.9456340 * 0.0000000 1.5141599 * 3.0660275
3 H 0.9430550 * 1.5141599 * 0.0000000 4.2463692
4 O 4.0000000 3.0660275 4.2463692 0.0000000
5 H 4.5763514 3.6513456 4.8544861 0.9434695 *
6 H 4.5763514 3.6513456 4.8544861 0.9434695 *
H H
1 O 4.5763514 4.5763514
2 H 3.6513456 3.6513456
3 H 4.8544861 4.8544861
4 O 0.9434695 * 0.9434695 *
5 H 0.0000000 1.5179875 *
6 H 1.5179875 * 0.0000000
* ... LESS THAN 3.000
