费米维基

复制如下内容，在Input窗口粘贴即可。

S      -2.12963271       0.69457617      -1.09154308
S       2.64726818      -2.05019841      -1.05474412
S       0.91895998       0.63595214      -0.87366569
S      -0.52584136      -2.03815171      -4.27487421
S      -2.13254642       0.70481232      -4.28772998
S       2.63504672      -2.04520532      -4.27807474
S       1.05304891       0.69126847      -4.28159595
Mo       1.03707361      -1.11676535      -2.66630194
Mo      -0.53767955       1.60951176      -2.66804433
Mo      -2.11666942      -1.11937198      -2.67896575
Mo      -3.70867920       1.62926713      -2.71244550
S      -0.64890409      -2.13057885      -1.01898408
H       0.00000000       0.00000000       0.00000000
H      -1.33576107      -2.48329553       0.17177653
VEC1       6.32600260       0.00000000       0.00000000 
VEC2      -3.16300130       5.47847891       0.00000000