#759 Zmatrix has angle nan

[Anonymous]

Hi!
I import crystal TiO2-Anatase.cif and build a single supercell using the supercell builder, just for a test. The extension for nwchem gives an angle a13 = nan (check the attachment). I think the same causes errors in nw-chem as

 geom_input: autosym bug : too few atoms       12

 There is an error related to the specified geometry

The same must be in play in psi4 also, as it goes to similar error.

Hope to see it cleared!

Thank you very much!