FOR CASE R(O-O) = 2.6 ANGSTROMS
COORDINATES OF ALL ATOMS ARE (ANGS)
ATOM CHARGE X Y Z
O 8.0 0.0000000000 0.0000000000 0.0000000000
H 1.0 0.8960484040 0.2995442846 0.0000000000
H 1.0 -0.5723481812 0.7482446152 0.0000000000
O 8.0 2.6000000000 0.0000000000 0.0000000000
H 1.0 2.8243477101 -0.5147334622 -0.7595426058
H 1.0 2.8243477101 -0.5147334622 0.7595426058
INTERNUCLEAR DISTANCES (ANGS)
O H H O
1 O 0.0000000 0.9447907 * 0.9420469 * 2.6000000 *
2 H 0.9447907 * 0.0000000 1.5354219 * 1.7300803 *
3 H 0.9420469 * 1.5354219 * 0.0000000 3.2593961
4 O 2.6000000 * 1.7300803 * 3.2593961 0.0000000
5 H 2.9696457 * 2.2267221 * 3.7026425 0.9445567 *
6 H 2.9696457 * 2.2267221 * 3.7026425 0.9445567 *
H H
1 O 2.9696457 * 2.9696457 *
2 H 2.2267221 * 2.2267221 *
3 H 3.7026425 3.7026425
4 O 0.9445567 * 0.9445567 *
5 H 0.0000000 1.5190852 *
6 H 1.5190852 * 0.0000000
* ... LESS THAN 3.000
