AM1 Keyword
Last Update:
12/31/2000
DESCRIPTION
This method keyword requests a semi-empirical calculation using the AM1 Hamiltonian [30 ,35,36,40,41]. No basis set keyword should be specified.
AVAILABILITY
Energies, "analytic" gradients, and numerical frequencies.
EXAMPLES
The AM1 energy appears in the output file as follows (followed by the x, y, and z components of the dipole moment):
Energy= -.091965532835 NIter= 10. Dipole moment= .000000 .000000 -.739540
The energy is as defined by the AM1 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.