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

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