If you downloaded data from the basis set exchange or used the basis set exchange python library, please cite: pritchard2019a Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara D., Windus, Theresa L. A New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular Sciences Community J. Chem. Inf. Model. 59, 4814-4820 (2019) 10.1021/acs.jcim.9b00725 feller1996a Feller, David The role of databases in support of computational chemistry calculations J. Comput. Chem. 17, 1571-1586 (1996) 10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P schuchardt2007a Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong, Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L. Basis Set Exchange: A Community Database for Computational Sciences J. Chem. Inf. Model. 47, 1045-1052 (2007) 10.1021/ci600510j References for the basis set H STO-3G Minimal Basis (3 functions/AO) hehre1969a hehre1969a Hehre, W. J., Stewart, R. F., Pople, J. A. Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals J. Chem. Phys. 51, 2657-2664 (1969) 10.1063/1.1672392