LiH molecule
1.0
15.00000000         0.00000000        0.00000000
 0.00000000        15.00000000        0.00000000
 0.00000000         0.00000000       15.00000000
 Li H
 1 1
Cartesian
7.50000000 7.50000000  6.70206900
7.50000000 7.50000000  8.29793200
