This method keyword requests a semi-empirical calculation using the MNDO Hamiltonian [Dewar77, Dewar78, Dewar78a, Davis81, Dewar83, Dewar83a, Dewar84, Dewar85a, Dewar86]. 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:
SCF Done: E(UMNDO) = -8.08016620373 A.U. after 11 cycles
The energy is as defined by the MNDO model.
Last update: 18 September 2012
¾Ã¾Ã¾«Æ·¹ú²ú99¾Ã¾ÃÏ㽶