# Details of computing
0: XECQOO.cif
1: XECQUU.cif
2: XECRAB.cif
3: XECYIQ.cif
-------------------------------------
0
1
2
3
0
0.0000
37.7970
29.2641
28.1572
1
37.7970
0.0000
27.4228
43.5973
2
29.2641
27.4228
0.0000
38.1425
3
28.1572
43.5973
38.1425
0.0000