INDO Keyword
Last Update:
12/31/2000
| Description |
Requests a semi-empirical calculation using the INDO Hamiltonian [29]. No basis set keyword should be specified.
| Availability |
Energies, “analytic” gradients, and numerical frequencies.
| Examples |
The INDO energy appears in the output file as follows (followed by the x, y, and z components of the dipole moment):
Energy= -19.034965532835 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.