Fluorine basis sets for use with Trail-Needs pseudopotentials ------------------------------------------------------------- "Correlation Consistent Gaussian Basis Sets for H, B-Ne with Dirac-Fock AREP Pseudopotentials: Applications in Quantum Monte Carlo Calculations" J. Xu, M.J. Deible, K.A. Peterson and K.D. Jordan Journal of Chemical Theory and Computation, 9, 2170-2178 (2013) CRYSTAL FORMAT Consider removing the outer diffuse functions in periodic systems. Fluorine aug-cc-pVDZ-CDF 209 8 0 0 10 2.0 1.0 74.89951 -0.002468 46.74199 0.019169 29.16436 -0.081152 18.19700 0.213929 11.37305 -0.254988 3.96885 -0.064450 2.04155 0.236186 0.91037 0.462394 0.41030 0.379259 0.18153 0.090351 0 2 10 5.0 1.0 67.31505 -0.001110 42.08949 0.007863 26.31654 -0.034263 16.18931 0.078927 5.97723 0.112359 2.90851 0.189780 1.43846 0.276085 0.68046 0.314725 0.30498 0.240771 0.12804 0.074778 0 0 1 2.0 1.0 0.3145 1.0 0 2 1 0.0 1.0 0.3531 1.0 0 3 1 0.0 1.0 1.7035 1.0 0 0 1 0.0 1.0 0.1777 1.0 0 2 1 0.0 1.0 0.0977 1.0 0 3 1 0.0 1.0 0.4626 1.0 Fluorine aug-cc-pVTZ-CDF 209 13 0 0 10 2.0 1.0 74.89951 -0.002468 46.74199 0.019169 29.16436 -0.081152 18.19700 0.213929 11.37305 -0.254988 3.96885 -0.064450 2.04155 0.236186 0.91037 0.462394 0.41030 0.379259 0.18153 0.090351 0 2 10 5.0 1.0 67.31505 -0.001110 42.08949 0.007863 26.31654 -0.034263 16.18931 0.078927 5.97723 0.112359 2.90851 0.189780 1.43846 0.276085 0.68046 0.314725 0.30498 0.240771 0.12804 0.074778 0 0 1 2.0 1.0 2.3857 1.0 0 0 1 0.0 1.0 0.3392 1.0 0 2 1 0.0 1.0 0.843 1.0 0 2 1 0.0 1.0 0.2591 1.0 0 3 1 0.0 1.0 3.1164 1.0 0 3 1 0.0 1.0 0.8721 1.0 0 4 1 0.0 1.0 1.9082 1.0 0 0 1 0.0 1.0 0.1598 1.0 0 2 1 0.0 1.0 0.0806 1.0 0 3 1 0.0 1.0 0.2812 1.0 0 4 1 0.0 1.0 0.7007 1.0