In a COSMO calculation, where the COSWRT is used, COSCCH allows for bond dipole and bond quadrupole corrections before the final COSMO calculation.  Quadrupoles require a charge dq on the bond between atoms i1, and i2. The syntax is dq: i1 i2 dq.

The list of dq correction charges is followed by a list of correction charges on all atoms.

This keyword is intended for use by Dr Andreas Klamt's software only.