Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

1ELECTRON

Print the matrix of one-electron resonance integrals for the final molecular geometry. For the MNDO-form models implemented in MOPAC, this matrix has the form [4]

\[H_{\lambda\sigma} = \frac{1}{2} (\beta_{\lambda} + \beta_{\sigma}) S_{\lambda\sigma}\]

where \(\lambda\) and \(\sigma\) are the atomic orbital indices, \(\beta_{\lambda}\) are the atomic orbital energies, and \(\S_{\lambda\sigma}\) is the atomic orbital overlap matrix. This matrix is only one term of the full MNDO-form Fock matrix.