#  LANL2TZ(f)  EMSL  Basis Set Exchange Library  3/15/13 10:18 AM
# Elements                             References
# --------                             ----------
# Sc   Ti   V   Cr   Mn   Fe   Co   Ni   Cu   Y   Zr   Nb   Mo   Tc   Ru   Rh   Pd   Ag   La   Hf   Ta   W   Re   Os   Ir   Pt   Au: P.J. Hay and W.R. Wadt, J. Chem. Phys. 82, 299 (1985).
# Sc   Ti   V   Cr   Mn   Fe   Co   Ni   Cu   Y   Zr   Nb   Mo   Tc   Ru   Rh   Pd   Ag   La   Hf   Ta   W   Re   Os   Ir   Pt   Au: L.E. Roy, P.J. Hay, and R.L. Martin, J. Chem. Theory Comput. 4, 1029 (2008).
# Sc   Ti   V   Cr   Mn   Fe   Co   Ni   Cu   Y   Zr   Nb   Mo   Tc   Ru   Rh   Pd   Ag   La   Hf   Ta   W   Re   Os   Ir   Pt   Au: A.W. Ehlers, M. Bohme, S. Dapprich, A. Gobbi, A. Hollwarth, V. Jonas, K.F. Kohler, R. Stegmann, A. Veldkamp, G. Frenking, Chem. Phys. Lett. 208, 111 (1993).
# 



basis "Sc_LANL2TZ(f)" SPHERICAL
Sc    S
      3.7170000              1.0000000        
Sc    S
      1.0970000              1.0000000        
Sc    S
      0.4164000              1.0000000        
Sc    S
      0.0761000              1.0000000        
Sc    S
      0.0284000              1.0000000        
Sc    P
     10.4000000              1.0000000        
Sc    P
      1.3110000              1.0000000        
Sc    P
      0.4266000              1.0000000        
Sc    P
      0.0470000              1.0000000        
Sc    P
      0.0140000              1.0000000        
Sc    D
     15.1300000              0.0379291        
      4.2050000              0.1738360        
      1.3030000              0.4268057        
Sc    D
      0.3680000              1.0000000        
Sc    D
      0.0812000              1.0000000        
Sc    F
      1.3350000              1.0000000        
end
basis "Ti_LANL2TZ(f)" SPHERICAL
Ti    S
      4.3720000              1.0000000        
Ti    S
      1.0980000              1.0000000        
Ti    S
      0.4178000              1.0000000        
Ti    S
      0.0872000              1.0000000        
Ti    S
      0.0314000              1.0000000        
Ti    P
     12.5200000              1.0000000        
Ti    P
      1.4910000              1.0000000        
Ti    P
      0.4859000              1.0000000        
Ti    P
      0.0530000              1.0000000        
Ti    P
      0.0160000              1.0000000        
Ti    D
     20.2100000              0.0341682        
      5.4950000              0.1710005        
      1.6990000              0.4405849        
Ti    D
      0.4840000              1.0000000        
Ti    D
      0.1157000              1.0000000        
Ti    F
      1.5060000              1.0000000        
end
basis "V_LANL2TZ(f)" SPHERICAL
V    S
      4.5900000              1.0000000        
V    S
      1.4930000              1.0000000        
V    S
      0.5570000              1.0000000        
V    S
      0.0975000              1.0000000        
V    S
      0.0342000              1.0000000        
V    P
     13.7600000              1.0000000        
V    P
      1.7120000              1.0000000        
V    P
      0.5587000              1.0000000        
V    P
      0.0590000              1.0000000        
V    P
      0.0180000              1.0000000        
V    D
     25.7000000              0.0331033        
      6.5300000              0.1795753        
      2.0780000              0.4373062        
V    D
      0.6243000              1.0000000        
V    D
      0.1542000              1.0000000        
V    F
      1.7510000              1.0000000        
end
basis "Cr_LANL2TZ(f)" SPHERICAL
Cr    S
      5.3610000              1.0000000        
Cr    S
      1.4490000              1.0000000        
Cr    S
      0.5496000              1.0000000        
Cr    S
      0.1052000              1.0000000        
Cr    S
      0.0364000              1.0000000        
Cr    P
     16.4200000              1.0000000        
Cr    P
      1.9140000              1.0000000        
Cr    P
      0.6241000              1.0000000        
Cr    P
      0.0630000              1.0000000        
Cr    P
      0.0190000              1.0000000        
Cr    D
     28.9500000              0.0337787        
      7.7080000              0.1780345        
      2.4950000              0.4370008        
Cr    D
      0.7655000              1.0000000        
Cr    D
      0.1889000              1.0000000        
Cr    F
      1.9410000              1.0000000        
end
basis "Mn_LANL2TZ(f)" SPHERICAL
Mn    S
      5.9140000              1.0000000        
Mn    S
      1.6050000              1.0000000        
Mn    S
      0.6260000              1.0000000        
Mn    S
      0.1115000              1.0000000        
Mn    S
      0.0380000              1.0000000        
Mn    P
     18.2000000              1.0000000        
Mn    P
      2.1410000              1.0000000        
Mn    P
      0.7009000              1.0000000        
Mn    P
      0.0690000              1.0000000        
Mn    P
      0.0210000              1.0000000        
Mn    D
     32.2700000              0.0341580        
      8.8750000              0.1761105        
      2.8900000              0.4394298        
Mn    D
      0.8761000              1.0000000        
Mn    D
      0.2120000              1.0000000        
Mn    F
      2.1950000              1.0000000        
end
basis "Fe_LANL2TZ(f)" SPHERICAL
Fe    S
      6.4220000              1.0000000        
Fe    S
      1.8260000              1.0000000        
Fe    S
      0.7135000              1.0000000        
Fe    S
      0.1021000              1.0000000        
Fe    S
      0.0363000              1.0000000        
Fe    P
     19.4800000              1.0000000        
Fe    P
      2.3890000              1.0000000        
Fe    P
      0.7795000              1.0000000        
Fe    P
      0.0740000              1.0000000        
Fe    P
      0.0220000              1.0000000        
Fe    D
     37.0800000              0.0329000        
     10.1000000              0.1787418        
      3.2200000              0.4487657        
Fe    D
      0.9628000              1.0000000        
Fe    D
      0.2262000              1.0000000        
Fe    F
      2.4620000              1.0000000        
end
basis "Co_LANL2TZ(f)" SPHERICAL
Co    S
      7.1760000              1.0000000        
Co    S
      2.0090000              1.0000000        
Co    S
      0.8055000              1.0000000        
Co    S
      0.1070000              1.0000000        
Co    S
      0.0375000              1.0000000        
Co    P
     21.3900000              1.0000000        
Co    P
      2.6500000              1.0000000        
Co    P
      0.8619000              1.0000000        
Co    P
      0.0800000              1.0000000        
Co    P
      0.0230000              1.0000000        
Co    D
     39.2500000              0.0361541        
     10.7800000              0.1896744        
      3.4960000              0.4524981        
Co    D
      1.0660000              1.0000000        
Co    D
      0.2606000              1.0000000        
Co    F
      2.7800000              1.0000000        
end
basis "Ni_LANL2TZ(f)" SPHERICAL
Ni    S
      7.6200000              1.0000000        
Ni    S
      2.2940000              1.0000000        
Ni    S
      0.8760000              1.0000000        
Ni    S
      0.1153000              1.0000000        
Ni    S
      0.0396000              1.0000000        
Ni    P
     23.6600000              1.0000000        
Ni    P
      2.8930000              1.0000000        
Ni    P
      0.9435000              1.0000000        
Ni    P
      0.0840000              1.0000000        
Ni    P
      0.0240000              1.0000000        
Ni    D
     42.7200000              0.0372699        
     11.7600000              0.1956103        
      3.8170000              0.4561273        
Ni    D
      1.1690000              1.0000000        
Ni    D
      0.2836000              1.0000000        
Ni    F
      3.1300000              1.0000000        
end
basis "Cu_LANL2TZ(f)" SPHERICAL
Cu    S
      8.1760000              1.0000000        
Cu    S
      2.5680000              1.0000000        
Cu    S
      0.9587000              1.0000000        
Cu    S
      0.1153000              1.0000000        
Cu    S
      0.0396000              1.0000000        
Cu    P
     25.6300000              1.0000000        
Cu    P
      3.1660000              1.0000000        
Cu    P
      1.0230000              1.0000000        
Cu    P
      0.0860000              1.0000000        
Cu    P
      0.0240000              1.0000000        
Cu    D
     41.3400000              0.0465424        
     11.4200000              0.2227824        
      3.8390000              0.4539059        
Cu    D
      1.2300000              1.0000000        
Cu    D
      0.3102000              1.0000000        
Cu    F
      3.5250000              1.0000000        
end
basis "Y_LANL2TZ(f)" SPHERICAL
Y    S
      1.7510000              1.0000000        
Y    S
      1.1430000              1.0000000        
Y    S
      0.3581000              1.0000000        
Y    S
      0.1058000              1.0000000        
Y    S
      0.0318000              1.0000000        
Y    P
      3.8840000              1.0000000        
Y    P
      0.7660000              1.0000000        
Y    P
      0.2890000              1.0000000        
Y    P
      0.0629000              1.0000000        
Y    P
      0.0223000              1.0000000        
Y    D
      1.5230000              0.1074843        
      0.5634000              0.4563954        
Y    D
      0.1834000              1.0000000        
Y    D
      0.0569000              1.0000000        
Y    F
      0.8350000              1.0000000        
end
basis "Zr_LANL2TZ(f)" SPHERICAL
Zr    S
      1.9760000              1.0000000        
Zr    S
      1.1540000              1.0000000        
Zr    S
      0.3910000              1.0000000        
Zr    S
      0.1001000              1.0000000        
Zr    S
      0.0334000              1.0000000        
Zr    P
      4.1920000              1.0000000        
Zr    P
      0.8764000              1.0000000        
Zr    P
      0.2972000              1.0000000        
Zr    P
      0.0724000              1.0000000        
Zr    P
      0.0243000              1.0000000        
Zr    D
      2.2690000              0.0599741        
      0.7855000              0.4734158        
Zr    D
      0.2615000              1.0000000        
Zr    D
      0.0802000              1.0000000        
Zr    F
      0.8750000              1.0000000        
end
basis "Nb_LANL2TZ(f)" SPHERICAL
Nb    S
      2.1820000              1.0000000        
Nb    S
      1.2090000              1.0000000        
Nb    S
      0.4165000              1.0000000        
Nb    S
      0.1454000              1.0000000        
Nb    S
      0.0392000              1.0000000        
Nb    P
      4.5190000              1.0000000        
Nb    P
      0.9406000              1.0000000        
Nb    P
      0.3492000              1.0000000        
Nb    P
      0.0752000              1.0000000        
Nb    P
      0.0247000              1.0000000        
Nb    D
      3.4660000              0.0315983        
      0.9938000              0.4834306        
Nb    D
      0.3350000              1.0000000        
Nb    D
      0.1024000              1.0000000        
Nb    F
      0.9520000              1.0000000        
end
basis "Mo_LANL2TZ(f)" SPHERICAL
Mo    S
      2.3610000              1.0000000        
Mo    S
      1.3090000              1.0000000        
Mo    S
      0.4500000              1.0000000        
Mo    S
      0.1681000              1.0000000        
Mo    S
      0.0423000              1.0000000        
Mo    P
      4.8950000              1.0000000        
Mo    P
      1.0440000              1.0000000        
Mo    P
      0.3877000              1.0000000        
Mo    P
      0.0780000              1.0000000        
Mo    P
      0.0247000              1.0000000        
Mo    D
      2.9930000              0.0527063        
      1.0630000              0.5003907        
Mo    D
      0.3721000              1.0000000        
Mo    D
      0.1178000              1.0000000        
Mo    F
      1.0430000              1.0000000        
end
basis "Tc_LANL2TZ(f)" SPHERICAL
Tc    S
      2.3420000              1.0000000        
Tc    S
      1.6340000              1.0000000        
Tc    S
      0.5094000              1.0000000        
Tc    S
      0.1706000              1.0000000        
Tc    S
      0.0435000              1.0000000        
Tc    P
      5.2780000              1.0000000        
Tc    P
      1.1560000              1.0000000        
Tc    P
      0.4302000              1.0000000        
Tc    P
      0.0895000              1.0000000        
Tc    P
      0.0246000              1.0000000        
Tc    D
      4.6320000              0.0268724        
      1.2790000              0.5073089        
Tc    D
      0.4425000              1.0000000        
Tc    D
      0.1364000              1.0000000        
Tc    F
      1.1340000              1.0000000        
end
basis "Ru_LANL2TZ(f)" SPHERICAL
Ru    S
      2.5650000              1.0000000        
Ru    S
      1.5080000              1.0000000        
Ru    S
      0.5129000              1.0000000        
Ru    S
      0.1362000              1.0000000        
Ru    S
      0.0417000              1.0000000        
Ru    P
      4.8590000              1.0000000        
Ru    P
      1.2190000              1.0000000        
Ru    P
      0.4413000              1.0000000        
Ru    P
      0.0830000              1.0000000        
Ru    P
      0.0250000              1.0000000        
Ru    D
      4.1950000              0.0485729        
      1.3770000              0.5105223        
Ru    D
      0.4828000              1.0000000        
Ru    D
      0.1501000              1.0000000        
Ru    F
      1.2350000              1.0000000        
end
basis "Rh_LANL2TZ(f)" SPHERICAL
Rh    S
      2.6460000              1.0000000        
Rh    S
      1.7510000              1.0000000        
Rh    S
      0.5713000              1.0000000        
Rh    S
      0.1438000              1.0000000        
Rh    S
      0.0428000              1.0000000        
Rh    P
      5.4400000              1.0000000        
Rh    P
      1.3290000              1.0000000        
Rh    P
      0.4845000              1.0000000        
Rh    P
      0.0869000              1.0000000        
Rh    P
      0.0257000              1.0000000        
Rh    D
      3.6690000              0.0760059        
      1.4230000              0.5158852        
Rh    D
      0.5091000              1.0000000        
Rh    D
      0.1610000              1.0000000        
Rh    F
      1.3500000              1.0000000        
end
basis "Pd_LANL2TZ(f)" SPHERICAL
Pd    S
      2.7870000              1.0000000        
Pd    S
      1.9650000              1.0000000        
Pd    S
      0.6243000              1.0000000        
Pd    S
      0.1496000              1.0000000        
Pd    S
      0.0436000              1.0000000        
Pd    P
      5.9990000              1.0000000        
Pd    P
      1.4430000              1.0000000        
Pd    P
      0.5264000              1.0000000        
Pd    P
      0.0899000              1.0000000        
Pd    P
      0.0262000              1.0000000        
Pd    D
      6.0910000              0.0376146        
      1.7190000              0.5200479        
Pd    D
      0.6056000              1.0000000        
Pd    D
      0.1883000              1.0000000        
Pd    F
      1.4720000              1.0000000        
end
basis "Ag_LANL2TZ(f)" SPHERICAL
Ag    S
      2.9500000              1.0000000        
Ag    S
      2.1490000              1.0000000        
Ag    S
      0.6684000              1.0000000        
Ag    S
      0.0997000              1.0000000        
Ag    S
      0.0347000              1.0000000        
Ag    P
      6.5530000              1.0000000        
Ag    P
      1.5650000              1.0000000        
Ag    P
      0.5748000              1.0000000        
Ag    P
      0.0833000              1.0000000        
Ag    P
      0.0252000              1.0000000        
Ag    D
      3.3910000              0.1396938        
      1.5990000              0.4744421        
Ag    D
      0.6282000              1.0000000        
Ag    D
      0.2108000              1.0000000        
Ag    F
      1.6110000              1.0000000        
end
basis "La_LANL2TZ(f)" SPHERICAL
La    S
      0.9167000              1.0000000        
La    S
      0.7427000              1.0000000        
La    S
      0.2237000              1.0000000        
La    S
      0.0792000              1.0000000        
La    S
      0.0239000              1.0000000        
La    P
      1.5540000              1.0000000        
La    P
      0.5622000              1.0000000        
La    P
      0.2125000              1.0000000        
La    P
      0.0483000              1.0000000        
La    P
      0.0179000              1.0000000        
La    D
      0.4524000              1.0000000        
La    D
      0.1602000              1.0000000        
La    D
      0.0531000              1.0000000        
La    F
      0.5910000              1.0000000        
end
basis "Hf_LANL2TZ(f)" SPHERICAL
Hf    S
      1.9500000              1.0000000        
Hf    S
      1.1830000              1.0000000        
Hf    S
      0.3897000              1.0000000        
Hf    S
      0.1656000              1.0000000        
Hf    S
      0.0424000              1.0000000        
Hf    P
      1.9720000              1.0000000        
Hf    P
      1.3540000              1.0000000        
Hf    P
      0.3427000              1.0000000        
Hf    P
      0.0804000              1.0000000        
Hf    P
      0.0274000              1.0000000        
Hf    D
      0.8226000              1.0000000        
Hf    D
      0.2585000              1.0000000        
Hf    D
      0.0762000              1.0000000        
Hf    F
      0.7840000              1.0000000        
end
basis "Ta_LANL2TZ(f)" SPHERICAL
Ta    S
      2.0440000              1.0000000        
Ta    S
      1.2670000              1.0000000        
Ta    S
      0.4157000              1.0000000        
Ta    S
      0.1671000              1.0000000        
Ta    S
      0.0482000              1.0000000        
Ta    P
      2.5650000              1.0000000        
Ta    P
      1.2290000              1.0000000        
Ta    P
      0.4244000              1.0000000        
Ta    P
      0.0840000              1.0000000        
Ta    P
      0.0280000              1.0000000        
Ta    D
      0.8948000              1.0000000        
Ta    D
      0.2989000              1.0000000        
Ta    D
      0.0935000              1.0000000        
Ta    F
      0.7900000              1.0000000        
end
basis "W_LANL2TZ(f)" SPHERICAL
W    S
      2.1370000              1.0000000        
W    S
      1.3470000              1.0000000        
W    S
      0.4366000              1.0000000        
W    S
      0.1883000              1.0000000        
W    S
      0.0518000              1.0000000        
W    P
      3.0050000              1.0000000        
W    P
      1.2280000              1.0000000        
W    P
      0.4010000              1.0000000        
W    P
      0.0900000              1.0000000        
W    P
      0.0280000              1.0000000        
W    D
      0.9519000              1.0000000        
W    D
      0.3270000              1.0000000        
W    D
      0.1054000              1.0000000        
W    F
      0.8230000              1.0000000        
end
basis "Re_LANL2TZ(f)" SPHERICAL
Re    S
      2.1850000              1.0000000        
Re    S
      1.4510000              1.0000000        
Re    S
      0.4585000              1.0000000        
Re    S
      0.2314000              1.0000000        
Re    S
      0.0566000              1.0000000        
Re    P
      3.3580000              1.0000000        
Re    P
      1.2710000              1.0000000        
Re    P
      0.4644000              1.0000000        
Re    P
      0.0890000              1.0000000        
Re    P
      0.0280000              1.0000000        
Re    D
      1.1160000              1.0000000        
Re    D
      0.4267000              1.0000000        
Re    D
      0.1378000              1.0000000        
Re    F
      0.8690000              1.0000000        
end
basis "Os_LANL2TZ(f)" SPHERICAL
Os    S
      2.2220000              1.0000000        
Os    S
      1.4960000              1.0000000        
Os    S
      0.4774000              1.0000000        
Os    S
      0.2437000              1.0000000        
Os    S
      0.0583000              1.0000000        
Os    P
      2.5180000              1.0000000        
Os    P
      1.4600000              1.0000000        
Os    P
      0.4923000              1.0000000        
Os    P
      0.0980000              1.0000000        
Os    P
      0.0290000              1.0000000        
Os    D
      1.1830000              1.0000000        
Os    D
      0.4492000              1.0000000        
Os    D
      0.1463000              1.0000000        
Os    F
      0.8860000              1.0000000        
end
basis "Ir_LANL2TZ(f)" SPHERICAL
Ir    S
      2.3500000              1.0000000        
Ir    S
      1.5820000              1.0000000        
Ir    S
      0.5018000              1.0000000        
Ir    S
      0.2500000              1.0000000        
Ir    S
      0.0598000              1.0000000        
Ir    P
      2.7920000              1.0000000        
Ir    P
      1.5410000              1.0000000        
Ir    P
      0.5100000              1.0000000        
Ir    P
      0.0980000              1.0000000        
Ir    P
      0.0290000              1.0000000        
Ir    D
      1.2400000              1.0000000        
Ir    D
      0.4647000              1.0000000        
Ir    D
      0.1529000              1.0000000        
Ir    F
      0.9380000              1.0000000        
end
basis "Pt_LANL2TZ(f)" SPHERICAL
Pt    S
      2.5470000              1.0000000        
Pt    S
      1.6140000              1.0000000        
Pt    S
      0.5167000              1.0000000        
Pt    S
      0.2651000              1.0000000        
Pt    S
      0.0580000              1.0000000        
Pt    P
      2.9110000              1.0000000        
Pt    P
      1.8360000              1.0000000        
Pt    P
      0.5982000              1.0000000        
Pt    P
      0.0996000              1.0000000        
Pt    P
      0.0290000              1.0000000        
Pt    D
      1.2430000              1.0000000        
Pt    D
      0.4271000              1.0000000        
Pt    D
      0.1370000              1.0000000        
Pt    F
      0.9930000              1.0000000        
end
basis "Au_LANL2TZ(f)" SPHERICAL
Au    S
      2.8090000              1.0000000        
Au    S
      1.5950000              1.0000000        
Au    S
      0.5327000              1.0000000        
Au    S
      0.2826000              1.0000000        
Au    S
      0.0598000              1.0000000        
Au    P
      3.6840000              1.0000000        
Au    P
      1.6660000              1.0000000        
Au    P
      0.5989000              1.0000000        
Au    P
      0.0977000              1.0000000        
Au    P
      0.0279000              1.0000000        
Au    D
      1.2870000              1.0000000        
Au    D
      0.4335000              1.0000000        
Au    D
      0.1396000              1.0000000        
Au    F
      1.0500000              1.0000000        
end
ASSOCIATED_ECP "lanl2dz_ecp"
# Elements                             References
# --------                             ----------
# Na - Hg: P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985).
#          P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 284 (1985).
#          P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
#   

