CNDO

DESCRIPTION

This method keyword requests a semi-empirical calculation using the CNDO Hamiltonian [Segal66]. No basis set keyword should be specified.

AVAILABILITY

Energies, “analytic” gradients, and numerical frequencies.

EXAMPLES

The CNDO energy appears in the output file as follows:

 SCF Done:  E(UCNDO) =  -8.08016620373     A.U. after   11 cycles

The energy is as defined by the CNDO model.

Last update: 23 April 2013