Slide 1 Computational Spectroscopy II. ab initio Methods Chemistry 713 Updated: January 29, 2008 Slide 2 (b) Optimized Structures and Rotational Constants Calculation of…
Running Gaussian 03 Lim, Seok Ho Byun, Jae Duk OUT Line Introduction Task Program Start Input file example Basis set Output Method of execution paint a Orbital for using…