# Details of computing
0: BBHDPQ10.cif
1: BRHPQU.cif
2: PHYPDQ.cif


-------------------------------------

	0	1	2
0	0.0000	53.8943	52.2169
1	53.8943	0.0000	51.4692
2	52.2169	51.4692	0.0000