Nitrogen 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 Nitrogen aug-cc-pVDZ-CDF N 0 S 10 1.0 43.45727 -0.003151 27.09898 0.022280 16.75380 -0.089968 10.47474 0.225786 6.55114 -0.258201 2.62578 -0.048293 1.17967 0.167173 0.60455 0.388324 0.28171 0.444711 0.12320 0.146937 P 10 1.0 36.96066 -0.000904 23.08691 0.007006 14.42173 -0.032207 9.01614 0.068947 3.90510 0.076921 2.02264 0.152726 0.99951 0.268637 0.46783 0.342664 0.21099 0.272087 0.09070 0.081333 S 1 1.0 0.1688 1.0 P 1 1.0 0.2125 1.0 D 1 1.0 0.8297 1.0 S 1 1.0 0.1051 1.0 P 1 1.0 0.058 1.0 D 1 1.0 0.2402 1.0 Nitrogen aug-cc-pVTZ-CDF N 0 S 10 1.0 43.45727 -0.003151 27.09898 0.022280 16.75380 -0.089968 10.47474 0.225786 6.55114 -0.258201 2.62578 -0.048293 1.17967 0.167173 0.60455 0.388324 0.28171 0.444711 0.12320 0.146937 P 10 1.0 36.96066 -0.000904 23.08691 0.007006 14.42173 -0.032207 9.01614 0.068947 3.90510 0.076921 2.02264 0.152726 0.99951 0.268637 0.46783 0.342664 0.21099 0.272087 0.09070 0.081333 S 1 1.0 1.2780 1.0 S 1 1.0 0.1749 1.0 P 1 1.0 0.5316 1.0 P 1 1.0 0.1762 1.0 D 1 1.0 1.6766 1.0 D 1 1.0 0.4777 1.0 F 1 1.0 1.0869 1.0 S 1 1.0 0.0912 1.0 P 1 1.0 0.0502 1.0 D 1 1.0 0.1542 1.0 F 1 1.0 0.3745 1.0 Nitrogen aug-cc-pVQZ-CDF N 0 S 10 1.0 43.45727 -0.003151 27.09898 0.022280 16.75380 -0.089968 10.47474 0.225786 6.55114 -0.258201 2.62578 -0.048293 1.17967 0.167173 0.60455 0.388324 0.28171 0.444711 0.12320 0.146937 P 10 1.0 36.96066 -0.000904 23.08691 0.007006 14.42173 -0.032207 9.01614 0.068947 3.90510 0.076921 2.02264 0.152726 0.99951 0.268637 0.46783 0.342664 0.21099 0.272087 0.09070 0.081333 S 1 1.0 1.1637 1.0 S 1 1.0 0.4214 1.0 S 1 1.0 0.1526 1.0 P 1 1.0 1.1042 1.0 P 1 1.0 0.3977 1.0 P 1 1.0 0.1432 1.0 D 1 1.0 2.8646 1.0 D 1 1.0 0.9908 1.0 D 1 1.0 0.3427 1.0 F 1 1.0 1.9600 1.0 F 1 1.0 0.6748 1.0 G 1 1.0 1.4164 1.0 S 1 1.0 0.0684 1.0 P 1 1.0 0.0438 1.0 D 1 1.0 0.1128 1.0 F 1 1.0 0.2472 1.0 G 1 1.0 0.5551 1.0 Nitrogen aug-cc-pV5Z-CDF (not usable in CASINO because of h functions) N 0 S 10 1.0 43.45727 -0.003151 27.09898 0.022280 16.75380 -0.089968 10.47474 0.225786 6.55114 -0.258201 2.62578 -0.048293 1.17967 0.167173 0.60455 0.388324 0.28171 0.444711 0.12320 0.146937 P 10 1.0 36.96066 -0.000904 23.08691 0.007006 14.42173 -0.032207 9.01614 0.068947 3.90510 0.076921 2.02264 0.152726 0.99951 0.268637 0.46783 0.342664 0.21099 0.272087 0.09070 0.081333 S 1 1.0 1.646 1.0 S 1 1.0 0.689 1.0 S 1 1.0 0.2884 1.0 S 1 1.0 0.1207 1.0 P 1 1.0 1.7015 1.0 P 1 1.0 0.6987 1.0 P 1 1.0 0.2869 1.0 P 1 1.0 0.1178 1.0 D 1 1.0 4.3714 1.0 D 1 1.0 1.7339 1.0 D 1 1.0 0.6878 1.0 D 1 1.0 0.2728 1.0 F 1 1.0 2.9886 1.0 F 1 1.0 1.2304 1.0 F 1 1.0 0.5065 1.0 G 1 1.0 2.4101 1.0 G 1 1.0 0.9424 1.0 H 1 1.0 1.7472 1.0 S 1 1.0 0.0541 1.0 P 1 1.0 0.0388 1.0 D 1 1.0 0.0957 1.0 F 1 1.0 0.1865 1.0 G 1 1.0 0.3948 1.0 H 1 1.0 0.7941 1.0