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) GAUSSIAN-09 FORMAT Fluorine aug-cc-pVDZ-CDF F 0 S 10 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 P 10 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 S 1 1.0 0.3145 1.0 P 1 1.0 0.3531 1.0 D 1 1.0 1.7035 1.0 S 1 1.0 0.1777 1.0 P 1 1.0 0.0977 1.0 D 1 1.0 0.4626 1.0 Fluorine aug-cc-pVTZ-CDF F 0 S 10 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 P 10 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 S 1 1.0 2.3857 1.0 S 1 1.0 0.3392 1.0 P 1 1.0 0.843 1.0 P 1 1.0 0.2591 1.0 D 1 1.0 3.1164 1.0 D 1 1.0 0.8721 1.0 F 1 1.0 1.9082 1.0 S 1 1.0 0.1598 1.0 P 1 1.0 0.0806 1.0 D 1 1.0 0.2812 1.0 F 1 1.0 0.7007 1.0 Fluorine aug-cc-pVQZ-CDF F 0 S 10 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 P 10 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 S 1 1.0 2.3304 1.0 S 1 1.0 0.8357 1.0 S 1 1.0 0.2997 1.0 P 1 1.0 1.785 1.0 P 1 1.0 0.6091 1.0 P 1 1.0 0.2078 1.0 D 1 1.0 4.825 1.0 D 1 1.0 1.6732 1.0 D 1 1.0 0.5803 1.0 F 1 1.0 3.5012 1.0 F 1 1.0 1.1376 1.0 G 1 1.0 2.367 1.0 S 1 1.0 0.1244 1.0 P 1 1.0 0.0695 1.0 D 1 1.0 0.1974 1.0 F 1 1.0 0.4419 1.0 G 1 1.0 0.9089 1.0 Fluorine aug-cc-pV5Z-CDF (not usable in CASINO because of H functions) F 0 S 10 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 P 10 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 S 1 1.0 3.0608 1.0 S 1 1.0 1.2898 1.0 S 1 1.0 0.5435 1.0 S 1 1.0 0.229 1.0 P 1 1.0 2.9711 1.0 P 1 1.0 1.1511 1.0 P 1 1.0 0.4459 1.0 P 1 1.0 0.1728 1.0 D 1 1.0 6.8852 1.0 D 1 1.0 2.7772 1.0 D 1 1.0 1.1202 1.0 D 1 1.0 0.4518 1.0 F 1 1.0 5.4304 1.0 F 1 1.0 2.099 1.0 F 1 1.0 0.8114 1.0 G 1 1.0 4.2053 1.0 G 1 1.0 1.5005 1.0 H 1 1.0 2.9806 1.0 S 1 1.0 0.0929 1.0 P 1 1.0 0.0606 1.0 D 1 1.0 0.1643 1.0 F 1 1.0 0.3236 1.0 G 1 1.0 0.6344 1.0 H 1 1.0 1.3183 1.0