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1142278291
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note
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The (aug-)cc-p(C)VXZ basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Sciences Computing Facility, Environmental and Molecular Science Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, USA and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC0676RLO 1830.
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24
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1142266180
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note
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The package also contains modified versions of the MOLECULE gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
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psi 2.0, C. L. Janssen, E. T. Seidl, G. E. Scuseria et al. (PSITECH Inc., Watkinsville, GA, 1994).
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Psi 2.0
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