Description
Requests a semi-empirical calculation using the INDO Hamiltonian [ Pople67 J. A. Pople, D. Beveridge, and P. Dobosh, “Approximate self-consistent molecular-orbital theory. 5. Intermediate neglect of differential overlap,” J. Chem. Phys., 47 (1967) 2026-33. DOI: ]. No basis set keyword should be specified.
適用範囲
Availability
Energies, “analytic” gradients, and numerical frequencies.
実例
Examples
The INDO energy appears in the output file as follows:
SCF Done: E(UINDO) = -8.08016620373 A.U. after 11 cycles
The energy is as defined by the INDO model.