# Details of computing
0: HIRTEI.cif
1: NEHFIP.cif
2: ROFVAK.cif
3: ROFVAK01.cif
-------------------------------------
0
1
2
3
0
0.0000
54.9723
61.1059
68.4862
1
54.9723
0.0000
59.8369
34.1702
2
61.1059
59.8369
0.0000
32.7248
3
68.4862
34.1702
32.7248
0.0000