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) CRYSTAL FORMAT Consider removing the outer diffuse functions in periodic systems. Nitrogen aug-cc-pVDZ-CDF 207 8 0 0 10 2.0 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 0 2 10 3.0 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 0 0 1 2.0 1.0 0.1688 1.0 0 2 1 0.0 1.0 0.2125 1.0 0 3 1 0.0 1.0 0.8297 1.0 0 0 1 0.0 1.0 0.1051 1.0 0 2 1 0.0 1.0 0.058 1.0 0 3 1 0.0 1.0 0.2402 1.0 Nitrogen aug-cc-pVTZ-CDF 207 13 0 0 10 2.0 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 0 2 10 3.0 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 0 0 1 2.0 1.0 1.2780 1.0 0 0 1 0.0 1.0 0.1749 1.0 0 2 1 0.0 1.0 0.5316 1.0 0 2 1 0.0 1.0 0.1762 1.0 0 3 1 0.0 1.0 1.6766 1.0 0 3 1 0.0 1.0 0.4777 1.0 0 4 1 0.0 1.0 1.0869 1.0 0 0 1 0.0 1.0 0.0912 1.0 0 2 1 0.0 1.0 0.0502 1.0 0 3 1 0.0 1.0 0.1542 1.0 0 4 1 0.0 1.0 0.3745 1.0