Gaussian 03 Online Manual
Last update:2 October 2006


This method keyword requests a semi-empirical calculation using the MNDO Hamiltonian [43,45,46,47,48,49,50,51,52,54]. No basis set keyword should be specified.

Energies, "analytic" gradients, and numerical frequencies. Restricted open shell (RO) wavefunctions are limited to optimizations using the Fletcher-Powell and pseudo-Newton-Raphson methods (FP and EnOnly, respectively).

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

Energy=    -.0908412558735 NIter=   10. 
Dipole moment=    .000000   .000000  -.739540

The energy is as defined by this semi-empirical 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.