INDO

DESCRIPTION

Requests a semi-empirical calculation using the INDO Hamiltonian [Pople67]. No basis set keyword should be specified.

AVAILABILITY

Energies, “analytic” gradients, and numerical frequencies.

EXAMPLES

The INDO energy appears in the output file as follows:

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

The energy is as defined by the INDO model.


Last updated on: 9 Jun 2009