Gaussian 03 Online Manual
Last update: 2 October 2006


This method keyword requests a semi-empirical calculation using the MINDO3 Hamiltonian [43,44]. 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 (the FP and EnOnly options to Opt, respectively).

The MINDO3 energy appears in the output file as follows (followed by the x, y, and z components of the dipole moment):

Energy=     -.080309984532 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.