Gaussian 03 Online Manual
Last update: 2 October 2006


This method keyword requests a semi-empirical calculation using the CNDO Hamiltonian [41]. No basis set keyword should be specified.

Energies, "analytic" gradients, and numerical frequencies.

The CNDO energy appears in the output file as follows (followed by the x, y, and z components of the dipole moment):

Energy=    -19.887711334547 NIter= 10. 
Dipole moment=   .000000   .000000  -.739540 

The energy is as defined by the CNDO model. Note that energy differences computed from the values in semi-empirical calculations are in Hartrees and may be compared directly with energy differences computed from jobs using other methods.