FOR CASE R(O-O) = 5.0 ANGSTROMS
COORDINATES OF ALL ATOMS ARE (ANGS)
ATOM CHARGE X Y Z
O 8.0 0.0000000000 0.0000000000 0.0000000000
H 1.0 0.9143702368 -0.2354875654 0.0000000000
H 1.0 -0.0378338606 0.9424827314 0.0000000000
O 8.0 5.0000000000 0.0000000000 0.0000000000
H 1.0 5.5245987485 -0.1986042798 -0.7585361509
H 1.0 5.5245987485 -0.1986042798 0.7585361509
INTERNUCLEAR DISTANCES (ANGS)
O H H O
1 O 0.0000000 0.9442072 * 0.9432418 * 5.0000000
2 H 0.9442072 * 0.0000000 1.5146969 * 4.0924107
3 H 0.9432418 * 1.5146969 * 0.0000000 5.1252360
4 O 5.0000000 4.0924107 5.1252360 0.0000000
5 H 5.5799652 4.6723596 5.7287096 0.9434112 *
6 H 5.5799652 4.6723596 5.7287096 0.9434112 *
H H
1 O 5.5799652 5.5799652
2 H 4.6723596 4.6723596
3 H 5.7287096 5.7287096
4 O 0.9434112 * 0.9434112 *
5 H 0.0000000 1.5170723 *
6 H 1.5170723 * 0.0000000
* ... LESS THAN 3.000
