Author/Authors :
Barone، نويسنده , , Vincenzo and Bloino، نويسنده , , Julien and Guido، نويسنده , , Ciro A. and Lipparini، نويسنده , , Filippo، نويسنده ,
Abstract :
In this contribution we present a fully automated implementation of the anharmonic second order perturbative correction to the infrared absorption intensities in the Gaussian suite of programs. Several examples are discussed to show the possibilities of our program, as regards both the variety of treatable systems and eligible methods.
