!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 0.11 ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: LANL2TZ ! Description: LANL2TZ ! Role: orbital ! Version: 0 (Values from the Original Basis Set Exchange) !---------------------------------------------------------------------- $DATA LANTHANUM S 1 1 0.9167000 1.0000000 S 1 1 0.7427000 1.0000000 S 1 1 0.2237000 1.0000000 S 1 1 0.0792000 1.0000000 S 1 1 0.0239000 1.0000000 P 1 1 1.5540000 1.0000000 P 1 1 0.5622000 1.0000000 P 1 1 0.2125000 1.0000000 P 1 1 0.0483000 1.0000000 P 1 1 0.0179000 1.0000000 D 1 1 0.4524000 1.0000000 D 1 1 0.1602000 1.0000000 D 1 1 0.0531000 1.0000000 $END $ECP LA-ECP GEN 46 3 6 ----- f-ul potential ----- -0.0864727 0 740.9166034 -33.5168803 1 146.6571499 -189.0709829 2 42.3585413 -54.2464367 2 11.1647500 -17.1351342 2 3.7556343 -1.8092185 2 1.2871827 4 ----- s-f potential ----- 2.8894943 0 125.6862665 61.9521592 1 37.5768955 164.8074490 2 12.6954869 55.6954609 2 2.6276082 4 ----- p-f potential ----- 4.5978412 0 179.1782247 71.6719736 1 42.6195661 175.8965896 2 13.4135957 37.9136404 2 2.0950392 5 ----- d-f potential ----- 2.9705496 0 104.7682064 46.5239946 1 40.1930340 137.4078176 2 18.5050798 63.4945183 2 5.8051185 18.0998654 2 1.4583220 $END