! ! BASIS="d-aug-cc-pVQZ Diffuse" !Elements References !-------- --------- !H - He: D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994). ! B - F: !Al - Cl: ! HYDROGEN ! Diffuse (1s,1p,1d,1f) S 1 1 0.6210000000E-02 1.000000000 P 1 1 0.2460000000E-01 1.000000000 D 1 1 0.5450000000E-01 1.000000000 F 1 1 0.9280000000E-01 1.000000000