# Details of computing
0: NAPHQU.cif
1: NAPHQU01.cif
2: NPQHRQ.cif
3: NPQNHQ.cif
-------------------------------------
0
1
2
3
0
0.0000
0.2359
19.3432
18.1388
1
0.2359
0.0000
19.2468
18.1697
2
19.3432
19.2468
0.0000
17.3661
3
18.1388
18.1697
17.3661
0.0000