Octahedral Fe complex: axial H2O cannot be placed perpendicular to tetradentate ligand

[JakcyLL]

Hi,

I am trying to build an octahedral Fe complex with:

• one tetradentate ligand (porphyrin or porphyrin-like from SMILES)
• two H2O ligands

I expect the tetradentate ligand to define the equatorial plane, and the two H2O ligands to occupy axial positions (along +z / -z).

However, the generated structure places both H2O ligands roughly in the same plane as shown below.

How can I fix this problem?