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Bookmark or Share- BSE#----- # Basis Set Exchange # Version 0.10 # https://www.basissetexchange.org #----- # Basis set: STO-3G # Description: STO-3G Minimal Basis (3 functions/AO) # Role: orbital # Version: 1 (Data from Gaussian09) #----- BASIS "ao basis" SPHERICAL PRINT #BASIS SET: (3s) -> [1s] H S 0.3425250914E+01 0.1543289673E+00 0.6239137298E+00 0.5353281423E+00 ...
- BSEIf you downloaded data from the basis set. exchange or used the basis set exchange python library, please cite: 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.
- Basis Set Exchange (BSE)The Basis Set Exchange is developed as a collaboration between the Molecular Sciences Software Institute (MolSSI) and the Pacific Northwest National Lab/Environmental Molecular Sciences Laboratory (PNNL/EMSL)
- BSEpcseg-n and psSseg-n basis sets ----- These segmented basis sets were constructed from polarization consistent basis sets. An energy-optimized uncontracted basis set is augmented with property specific functions to improve the basis set convergence.
- BSEBasis Set Exchange ! Version 0.10 ! https://www.basissetexchange.org !----- ! Basis set: cc-pVDZ ! Description: cc-pVDZ ! Role: orbital ! Version: 1 (Data from ccRepo/Grant Hill) !----- **** H 0 S 4 1.00 1.301000D+01 1.968500D-02 1.962000D+00 1.379770D-01 4.446000D-01 4.781480D-01 1.220000D-01 5.012400D-01 S 1 1.00 1.220000D-01 1.000000D+00 P 1 ...
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