def load_xyz(xyz_fname):
    """
    Load a .xyz file into PySCF mol format

    """

    with open(xyz_fname, "r") as f:
        lines = f.readlines()

    # Remove header
    lines = lines[2:]
    output = []
    for line in lines:
        elems = line.split()

        atom = elems[0].capitalize()
        x = float(elems[1])
        y = float(elems[2])
        z = float(elems[3])

        output.append([atom, [x, y, z]])

    return output