“…The inclusion of modern computational chemistry into the undergraduate curriculum is necessary to bring students to the forefront of the field of chemistry. While there is an ever-increasing number of exercises being introduced that incorporate computational chemistry, very few of these experiments are introduced to college freshmen in general chemistry courses (Cody & Wiser, 2003;Feller, Dallinger, & McKinney, 2004;Ochterski, 2014). Exercises connecting the results of computational chemistry and more traditional physical experimentation, or exploring possible avenues combining the two, are also few in number with most conducted in upperlevel courses (Adams & Sonntag, 2018;Albrecht, 2014;Hein, Kopitzke, Nalli, Esselman, & Hill, 2015;Hill et al, 2014;Mazzuca, Downing, & Potter, 2019;Peterson & Pullman, 2016;Simpson & Izydorczak, 2018;Simpson, Autschbach, & Zurek, 2013).…”