# Details of computing
0: DIHCAY.cif
1: DIHCAY01.cif
2: DOTPOR.cif
3: DOTPOR01.cif
-------------------------------------
0
1
2
3
0
0.0000
0.0258
50.6377
50.4808
1
0.0258
0.0000
50.6603
50.5131
2
50.6377
50.6603
0.0000
0.0219
3
50.4808
50.5131
0.0219
0.0000