Compute hscf

More information about this computation is available.

Required input columns


For Smiles: use column smiles, or select a different column:


Returned output columns


Output column name for LUMO: LUMO
Output column name for HOMO: HOMO
Output column name for IP: IP
Output column name for deltaH: deltaH
Output column name for dipole: dipole
Output column name for polarizability: polarizability