FOR CASE R(O-O) = 3.6 ANGSTROMS
COORDINATES OF ALL ATOMS ARE (ANGS)
ATOM CHARGE X Y Z
O 8.0 0.0000000000 0.0000000000 0.0000000000
H 1.0 0.9446505020 -0.0644060470 0.0000000000
H 1.0 -0.2066505388 0.9199832653 0.0000000000
O 8.0 3.6000000000 0.0000000000 0.0000000000
H 1.0 4.0739556557 -0.2987893275 -0.7593172874
H 1.0 4.0739556557 -0.2987893275 0.7593172874
INTERNUCLEAR DISTANCES (ANGS)
O H H O
1 O 0.0000000 0.9468436 * 0.9429070 * 3.6000000
2 H 0.9468436 * 0.0000000 1.5147661 * 2.6561305 *
3 H 0.9429070 * 1.5147661 * 0.0000000 3.9162428
4 O 3.6000000 2.6561305 * 3.9162428 0.0000000
5 H 4.1548709 3.2286296 4.5150370 0.9436481 *
6 H 4.1548709 3.2286296 4.5150370 0.9436481 *
H H
1 O 4.1548709 4.1548709
2 H 3.2286296 3.2286296
3 H 4.5150370 4.5150370
4 O 0.9436481 * 0.9436481 *
5 H 0.0000000 1.5186346 *
6 H 1.5186346 * 0.0000000
* ... LESS THAN 3.000
