FOR CASE R(O-O) = 3.2 ANGSTROMS
COORDINATES OF ALL ATOMS ARE (ANGS)
ATOM CHARGE X Y Z
O 8.0 0.0000000000 0.0000000000 0.0000000000
H 1.0 0.9478696983 0.0068211614 0.0000000000
H 1.0 -0.2778732227 0.9008477629 0.0000000000
O 8.0 3.2000000000 0.0000000000 0.0000000000
H 1.0 3.6171244767 -0.3741075540 -0.7595242995
H 1.0 3.6171244767 -0.3741075540 0.7595242995
INTERNUCLEAR DISTANCES (ANGS)
O H H O
1 O 0.0000000 0.9478942 * 0.9427302 * 3.2000000
2 H 0.9478942 * 0.0000000 1.5171451 * 2.2521406 *
3 H 0.9427302 * 1.5171451 * 0.0000000 3.5926493
4 O 3.2000000 2.2521406 * 3.5926493 0.0000000
5 H 3.7148921 2.8012328 * 4.1681405 0.9438360 *
6 H 3.7148921 2.8012328 * 4.1681405 0.9438360 *
H H
1 O 3.7148921 3.7148921
2 H 2.8012328 * 2.8012328 *
3 H 4.1681405 4.1681405
4 O 0.9438360 * 0.9438360 *
5 H 0.0000000 1.5190486 *
6 H 1.5190486 * 0.0000000
* ... LESS THAN 3.000
