#  LANL2DZ ECP  EMSL  Basis Set Exchange Library  3/15/13 10:19 AM
# Elements                             References
# --------                             ----------
# H  - Ne: T. H. Dunning Jr. and P. J. Hay, in Methods of Electronic Structure
# Theory, Vol. 2, H. F. Schaefer III, ed., PLENUM PRESS (1977)
# 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).
# 



basis "H_LANL2DZ ECP" SPHERICAL
H    S
     19.2384000              0.0328280        
      2.8987000              0.2312040        
      0.6535000              0.8172260        
H    S
      0.1776000              1.0000000        
end
basis "Li_LANL2DZ ECP" SPHERICAL
Li    S
    921.3000000              0.0013670        
    138.7000000              0.0104250        
     31.9400000              0.0498590        
      9.3530000              0.1607010        
      3.1580000              0.3446040        
      1.1570000              0.4251970        
      0.4446000              0.1694680        
Li    S
      0.4446000             -0.2223110        
      0.0766600              1.1164770        
Li    S
      0.0286400              1.0000000        
Li    P
      1.4880000              0.0387700        
      0.2667000              0.2362570        
      0.0720100              0.8304480        
Li    P
      0.0237000              1.0000000        
end
basis "Be_LANL2DZ ECP" SPHERICAL
Be    S
   1741.0000000              0.0013050        
    262.1000000              0.0099550        
     60.3300000              0.0480310        
     17.6200000              0.1585770        
      5.9330000              0.3513250        
      2.1850000              0.4270060        
      0.8590000              0.1604900        
Be    S
      2.1850000             -0.1852940        
      0.1806000              1.0570140        
Be    S
      0.0583500              1.0000000        
Be    P
      6.7100000              0.0163780        
      1.4420000              0.0915530        
      0.4103000              0.3414690        
      0.1397000              0.6854280        
Be    P
      0.0492200              1.0000000        
end
basis "B_LANL2DZ ECP" SPHERICAL
B    S
   2788.0000000              0.0012880        
    419.0000000              0.0098350        
     96.4700000              0.0476480        
     28.0700000              0.1600690        
      9.3760000              0.3628940        
      3.4060000              0.4335820        
      1.3060000              0.1400820        
B    S
      3.4060000             -0.1793300        
      0.3245000              1.0625940        
B    S
      0.1022000              1.0000000        
B    P
     11.3400000              0.0179880        
      2.4360000              0.1103430        
      0.6836000              0.3830720        
      0.2134000              0.6478950        
B    P
      0.0701100              1.0000000        
end
basis "C_LANL2DZ ECP" SPHERICAL
C    S
   4233.0000000              0.0012200        
    634.9000000              0.0093420        
    146.1000000              0.0454520        
     42.5000000              0.1546570        
     14.1900000              0.3588660        
      5.1480000              0.4386320        
      1.9670000              0.1459180        
C    S
      5.1480000             -0.1683670        
      0.4962000              1.0600910        
C    S
      0.1533000              1.0000000        
C    P
     18.1600000              0.0185390        
      3.9860000              0.1154360        
      1.1430000              0.3861880        
      0.3594000              0.6401140        
C    P
      0.1146000              1.0000000        
end
basis "N_LANL2DZ ECP" SPHERICAL
N    S
   5909.0000000              0.0011900        
    887.5000000              0.0090990        
    204.7000000              0.0441450        
     59.8400000              0.1504640        
     20.0000000              0.3567410        
      7.1930000              0.4465330        
      2.6860000              0.1456030        
N    S
      7.1930000             -0.1604050        
      0.7000000              1.0582150        
N    S
      0.2133000              1.0000000        
N    P
     26.7900000              0.0182540        
      5.9560000              0.1164610        
      1.7070000              0.3901780        
      0.5314000              0.6371020        
N    P
      0.1654000              1.0000000        
end
basis "O_LANL2DZ ECP" SPHERICAL
O    S
   7817.0000000              0.0011760        
   1176.0000000              0.0089680        
    273.2000000              0.0428680        
     81.1700000              0.1439300        
     27.1800000              0.3556300        
      9.5320000              0.4612480        
      3.4140000              0.1402060        
O    S
      9.5320000             -0.1541530        
      0.9398000              1.0569140        
O    S
      0.2846000              1.0000000        
O    P
     35.1800000              0.0195800        
      7.9040000              0.1242000        
      2.3050000              0.3947140        
      0.7171000              0.6273760        
O    P
      0.2137000              1.0000000        
end
basis "F_LANL2DZ ECP" SPHERICAL
F    S
   9995.0000000              0.0011600        
   1506.0000000              0.0088700        
    350.3000000              0.0423800        
    104.1000000              0.1429290        
     34.8400000              0.3553720        
     12.2200000              0.4620850        
      4.3690000              0.1408480        
F    S
     12.2200000             -0.1484520        
      1.2080000              1.0552700        
F    S
      0.3634000              1.0000000        
F    P
     44.3600000              0.0208760        
     10.0800000              0.1301070        
      2.9960000              0.3961660        
      0.9383000              0.6204040        
F    P
      0.2733000              1.0000000        
end
basis "Ne_LANL2DZ ECP" SPHERICAL
Ne    S
  12100.0000000              0.0012000        
   1821.0000000              0.0090920        
    432.8000000              0.0413050        
    132.5000000              0.1378670        
     43.7700000              0.3624330        
     14.9100000              0.4722470        
      5.1270000              0.1300350        
Ne    S
     14.9100000             -0.1408100        
      1.4910000              1.0533270        
Ne    S
      0.4468000              1.0000000        
Ne    P
     56.4500000              0.0208750        
     12.9200000              0.1300320        
      3.8650000              0.3956790        
      1.2030000              0.6214500        
Ne    P
      0.3444000              1.0000000        
end
basis "Na_LANL2DZ ECP" SPHERICAL
Na    S
      0.4972000             -0.2753574        
      0.0560000              1.0989969        
Na    S
      0.0221000              1.0000000        
Na    P
      0.6697000             -0.0683845        
      0.0636000              1.0140550        
Na    P
      0.0204000              1.0000000        
end
basis "Mg_LANL2DZ ECP" SPHERICAL
Mg    S
      0.7250000             -0.4058454        
      0.1112000              1.1688704        
Mg    S
      0.0404000              1.0000000        
Mg    P
      1.2400000             -0.0749753        
      0.1346000              1.0178183        
Mg    P
      0.0422000              1.0000000        
end
basis "Al_LANL2DZ ECP" SPHERICAL
Al    S
      0.9615000             -0.5021546        
      0.1819000              1.2342547        
Al    S
      0.0657000              1.0000000        
Al    P
      1.9280000             -0.0712584        
      0.2013000              1.0162966        
Al    P
      0.0580000              1.0000000        
end
basis "Si_LANL2DZ ECP" SPHERICAL
Si    S
      1.2220000             -0.5707339        
      0.2595000              1.2823826        
Si    S
      0.0931000              1.0000000        
Si    P
      2.5800000             -0.0777250        
      0.2984000              1.0197870        
Si    P
      0.0885000              1.0000000        
end
basis "P_LANL2DZ ECP" SPHERICAL
P    S
      1.5160000             -0.5862089        
      0.3369000              1.2994376        
P    S
      0.1211000              1.0000000        
P    P
      3.7050000             -0.0691472        
      0.3934000              1.0161988        
P    P
      0.1190000              1.0000000        
end
basis "S_LANL2DZ ECP" SPHERICAL
S    S
      1.8500000             -0.5324335        
      0.4035000              1.2763801        
S    S
      0.1438000              1.0000000        
S    P
      4.9450000             -0.0608116        
      0.4870000              1.0132686        
S    P
      0.1379000              1.0000000        
end
basis "Cl_LANL2DZ ECP" SPHERICAL
Cl    S
      2.2310000             -0.4900589        
      0.4720000              1.2542684        
Cl    S
      0.1631000              1.0000000        
Cl    P
      6.2960000             -0.0635641        
      0.6333000              1.0141355        
Cl    P
      0.1819000              1.0000000        
end
basis "Ar_LANL2DZ ECP" SPHERICAL
Ar    S
      2.6130000             -0.5110463        
      0.5736000              1.2701236        
Ar    S
      0.2014000              1.0000000        
Ar    P
      7.8600000             -0.0555167        
      0.7387000              1.0115982        
Ar    P
      0.2081000              1.0000000        
end
basis "K_LANL2DZ ECP" SPHERICAL
K    S
      3.0720000             -0.3083067              0.1894087        
      0.6752000              0.7820711             -0.5472332        
      0.2545000              0.4142883             -0.7576458        
      0.0529000              0.0000000              0.9952157        
K    S
      0.0209000              1.0000000        
K    P
      8.2330000             -0.0419919        
      0.9526000              0.5776819        
      0.3013000              0.5234611        
K    P
      0.0376000              1.0000000        
K    P
      0.0140000              1.0000000        
end
basis "Ca_LANL2DZ ECP" SPHERICAL
Ca    S
      3.4840000             -0.3337370              0.2606030        
      0.8551000              0.7589831             -0.6839150        
      0.3192000              0.4606109             -1.1987807        
      0.1447000              0.0000000              1.0251221        
Ca    S
      0.0350000              1.0000000        
Ca    P
      9.4200000             -0.0436943        
      1.1500000              0.6034747        
      0.3688000              0.4961107        
Ca    P
      0.0705000              1.0000000        
Ca    P
      0.0263000              1.0000000        
end
basis "Sc_LANL2DZ ECP" SPHERICAL
Sc    S
      3.7170000             -0.3926292              0.2197446        
      1.0970000              0.7147339             -0.4546067        
      0.4164000              0.5509400             -0.6938181        
      0.0761000              0.0000000              1.1260172        
Sc    S
      0.0284000              1.0000000        
Sc    P
     10.4000000             -0.0492615        
      1.3110000              0.6071965        
      0.4266000              0.4917582        
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        
      0.3680000              0.6238539        
Sc    D
      0.0812000              1.0000000        
end
basis "Ti_LANL2DZ ECP" SPHERICAL
Ti    S
      4.3720000             -0.3637098              0.2049027        
      1.0980000              0.8184533             -0.5575413        
      0.4178000              0.4184526             -0.5893652        
      0.0872000              0.0000000              1.1451661        
Ti    S
      0.0314000              1.0000000        
Ti    P
     12.5200000             -0.0456908        
      1.4910000              0.6203313        
      0.4859000              0.4765329        
Ti    P
      0.0530000              1.0000000        
Ti    P
      0.0160000              1.0000000        
Ti    D
     20.2100000              0.0341682        
      5.4950000              0.1710006        
      1.6990000              0.4405849        
      0.4840000              0.6114246        
Ti    D
      0.1157000              1.0000000        
end
basis "V_LANL2DZ ECP" SPHERICAL
V    S
      4.5900000             -0.4277302              0.2501081        
      1.4930000              0.7069691             -0.4697777        
      0.5570000              0.5895813             -0.7129415        
      0.0975000              0.0000000              1.1006569        
V    S
      0.0342000              1.0000000        
V    P
     13.7600000             -0.0482312        
      1.7120000              0.6141161        
      0.5587000              0.4838342        
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        
      0.6243000              0.5984860        
V    D
      0.1542000              1.0000000        
end
basis "Cr_LANL2DZ ECP" SPHERICAL
Cr    S
      5.3610000             -0.3805689              0.2203111        
      1.4490000              0.7795625             -0.5423391        
      0.5496000              0.4730777             -0.6047716        
      0.1052000              0.0000000              1.1136657        
Cr    S
      0.0364000              1.0000000        
Cr    P
     16.4200000             -0.0461397        
      1.9140000              0.6109965        
      0.6241000              0.4859635        
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        
      0.7655000              0.5941795        
Cr    D
      0.1889000              1.0000000        
end
basis "Mn_LANL2DZ ECP" SPHERICAL
Mn    S
      5.9140000             -0.3764508              0.2119966        
      1.6050000              0.7724789             -0.5199472        
      0.6260000              0.4769346             -0.5857681        
      0.1115000              0.0000000              1.1003964        
Mn    S
      0.0380000              1.0000000        
Mn    P
     18.2000000             -0.0447901        
      2.1410000              0.6260311        
      0.7009000              0.4696329        
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        
      0.8761000              0.5943271        
Mn    D
      0.2120000              1.0000000        
end
basis "Fe_LANL2DZ ECP" SPHERICAL
Fe    S
      6.4220000             -0.3927882              0.1786877        
      1.8260000              0.7712643             -0.4194032        
      0.7135000              0.4920228             -0.4568185        
      0.1021000              0.0000000              1.1035048        
Fe    S
      0.0363000              1.0000000        
Fe    P
     19.4800000             -0.0470282        
      2.3890000              0.6248841        
      0.7795000              0.4722542        
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        
      0.9628000              0.5876361        
Fe    D
      0.2262000              1.0000000        
end
basis "Co_LANL2DZ ECP" SPHERICAL
Co    S
      7.1760000             -0.3856734              0.1736161        
      2.0090000              0.7453116             -0.3970442        
      0.8055000              0.5091819             -0.4630622        
      0.1070000              0.0000000              1.0899654        
Co    S
      0.0375000              1.0000000        
Co    P
     21.3900000             -0.0480413        
      2.6500000              0.6222337        
      0.8619000              0.4758042        
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        
      1.0660000              0.5710427        
Co    D
      0.2606000              1.0000000        
end
basis "Ni_LANL2DZ ECP" SPHERICAL
Ni    S
      7.6200000             -0.4082550              0.1872591        
      2.2940000              0.7455308             -0.3966964        
      0.8760000              0.5325721             -0.4954003        
      0.1153000              0.0000000              1.0844343        
Ni    S
      0.0396000              1.0000000        
Ni    P
     23.6600000             -0.0481558        
      2.8930000              0.6258473        
      0.9435000              0.4715158        
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        
      1.1690000              0.5621587        
Ni    D
      0.2836000              1.0000000        
end
basis "Cu_LANL2DZ ECP" SPHERICAL
Cu    S
      8.1760000             -0.4210260              0.1787665        
      2.5680000              0.7385924             -0.3592273        
      0.9587000              0.5525692             -0.4704825        
      0.1153000              0.0000000              1.0807407        
Cu    S
      0.0396000              1.0000000        
Cu    P
     25.6300000             -0.0489173        
      3.1660000              0.6272854        
      1.0230000              0.4716188        
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        
      1.2300000              0.5314769        
Cu    D
      0.3102000              1.0000000        
end
basis "Zn_LANL2DZ ECP" SPHERICAL
Zn    S
      0.7997000             -0.6486112        
      0.1752000              1.3138291        
Zn    S
      0.0556000              1.0000000        
Zn    P
      0.1202000              1.0000000        
Zn    P
      0.0351000              1.0000000        
Zn    D
     68.8500000              0.0258532        
     18.3200000              0.1651195        
      5.9220000              0.4468212        
      1.9270000              0.5831080        
Zn    D
      0.5528000              1.0000000        
end
basis "Ga_LANL2DZ ECP" SPHERICAL
Ga    S
      0.8306000             -1.6759436        
      0.3392000              1.9877108        
Ga    S
      0.0918000              1.0000000        
Ga    P
      1.6750000             -0.0856107        
      0.2030000              1.0226850        
Ga    P
      0.0579000              1.0000000        
end
basis "Ge_LANL2DZ ECP" SPHERICAL
Ge    S
      0.8935000             -2.1756591        
      0.4424000              2.4493467        
Ge    S
      0.1162000              1.0000000        
Ge    P
      1.8770000             -0.1006779        
      0.2623000              1.0306256        
Ge    P
      0.0798000              1.0000000        
end
basis "As_LANL2DZ ECP" SPHERICAL
As    S
      0.9635000             -2.6709549        
      0.5427000              2.9387892        
As    S
      0.1407000              1.0000000        
As    P
      2.0840000             -0.1137100        
      0.3224000              1.0380266        
As    P
      0.1020000              1.0000000        
end
basis "Se_LANL2DZ ECP" SPHERICAL
Se    S
      1.0330000             -3.3224095        
      0.6521000              3.6003462        
Se    S
      0.1660000              1.0000000        
Se    P
      2.3660000             -0.1185522        
      0.3833000              1.0414320        
Se    P
      0.1186000              1.0000000        
end
basis "Br_LANL2DZ ECP" SPHERICAL
Br    S
      1.1590000             -3.0378769        
      0.7107000              3.3703735        
Br    S
      0.1905000              1.0000000        
Br    P
      2.6910000             -0.1189800        
      0.4446000              1.0424471        
Br    P
      0.1377000              1.0000000        
end
basis "Kr_LANL2DZ ECP" SPHERICAL
Kr    S
      1.2270000             -4.0317198        
      0.8457000              4.3554125        
Kr    S
      0.2167000              1.0000000        
Kr    P
      2.9200000             -0.1330685        
      0.5169000              1.0502807        
Kr    P
      0.1614000              1.0000000        
end
basis "Rb_LANL2DZ ECP" SPHERICAL
Rb    S
      1.4570000             -1.0617406              0.5052174        
      0.9400000              1.1722125             -0.5718404        
      0.2706000              0.7437008             -0.6835308        
      0.0366000              0.0000000              1.1136477        
Rb    S
      0.0155000              1.0000000        
Rb    P
      3.3000000             -0.0729417        
      0.5985000              0.6321782        
      0.2067000              0.4707426        
Rb    P
      0.1947000             -0.1250552        
      0.0318000              1.0438206        
Rb    P
      0.0124000              1.0000000        
end
basis "Sr_LANL2DZ ECP" SPHERICAL
Sr    S
      1.6480000             -0.9519879              0.7914337        
      1.0030000              1.0869857             -0.9434046        
      0.3106000              0.7203160             -1.3043063        
      0.1099000              0.0000000              0.9046869        
Sr    S
      0.0292000              1.0000000        
Sr    P
      3.5520000             -0.0886461        
      0.6975000              0.6661857        
      0.2480000              0.4390705        
Sr    P
      0.2735000             -0.1787470        
      0.0570000              1.0766134        
Sr    P
      0.0222000              1.0000000        
end
basis "Y_LANL2DZ ECP" SPHERICAL
Y    S
      1.7510000             -1.1617905              0.9683123        
      1.1430000              1.2958877             -1.1346367        
      0.3581000              0.7115125             -1.1914054        
      0.1058000              0.0000000              0.9281063        
Y    S
      0.0318000              1.0000000        
Y    P
      3.8840000             -0.0820601        
      0.7660000              0.6756413        
      0.2890000              0.4195482        
Y    P
      0.2896000             -0.1501080        
      0.0629000              1.0686926        
Y    P
      0.0223000              1.0000000        
Y    D
      1.5230000              0.1074843        
      0.5634000              0.4563954        
      0.1834000              0.6039855        
Y    D
      0.0569000              1.0000000        
end
basis "Zr_LANL2DZ ECP" SPHERICAL
Zr    S
      1.9760000             -0.9206745              0.7506060        
      1.1540000              1.0929033             -0.9810826        
      0.3910000              0.6795621             -1.0225151        
      0.1001000              0.0000000              1.0860038        
Zr    S
      0.0334000              1.0000000        
Zr    P
      4.1920000             -0.0942554        
      0.8764000              0.6783675        
      0.3263000              0.4246618        
Zr    P
      0.2972000             -0.1527401        
      0.0724000              1.0777185        
Zr    P
      0.0243000              1.0000000        
Zr    D
      2.2690000              0.0599741        
      0.7855000              0.4734158        
      0.2615000              0.6117178        
Zr    D
      0.0802000              1.0000000        
end
basis "Nb_LANL2DZ ECP" SPHERICAL
Nb    S
      2.1820000             -0.8846144              0.7790287        
      1.2090000              1.1033775             -1.0752788        
      0.4165000              0.6298776             -1.1506014        
      0.1454000              0.0000000              0.9969155        
Nb    S
      0.0392000              1.0000000        
Nb    P
      4.5190000             -0.0817303        
      0.9406000              0.6995115        
      0.3492000              0.3980996        
Nb    P
      0.4106000             -0.1212176        
      0.0752000              1.0480477        
Nb    P
      0.0247000              1.0000000        
Nb    D
      3.4660000              0.0315983        
      0.9938000              0.4834306        
      0.3350000              0.6164893        
Nb    D
      0.1024000              1.0000000        
end
basis "Mo_LANL2DZ ECP" SPHERICAL
Mo    S
      2.3610000             -0.9121760              0.8139259        
      1.3090000              1.1477453             -1.1360084        
      0.4500000              0.6097109             -1.1611592        
      0.1681000              0.0000000              1.0064786        
Mo    S
      0.0423000              1.0000000        
Mo    P
      4.8950000             -0.0908258        
      1.0440000              0.7042899        
      0.3877000              0.3973179        
Mo    P
      0.4995000             -0.1081945        
      0.0780000              1.0368093        
Mo    P
      0.0247000              1.0000000        
Mo    D
      2.9930000              0.0527063        
      1.0630000              0.5003907        
      0.3721000              0.5794024        
Mo    D
      0.1178000              1.0000000        
end
basis "Tc_LANL2DZ ECP" SPHERICAL
Tc    S
      2.3420000             -1.4911782              1.3523997        
      1.6340000              1.6749043             -1.6216301        
      0.5094000              0.6573006             -1.1463770        
      0.1706000              0.0000000              0.9859190        
Tc    S
      0.0435000              1.0000000        
Tc    P
      5.2780000             -0.0995419        
      1.1560000              0.7081544        
      0.4302000              0.3973571        
Tc    P
      0.4767000             -0.0973127        
      0.0895000              1.0404862        
Tc    P
      0.0246000              1.0000000        
Tc    D
      4.6320000              0.0268724        
      1.2790000              0.5073089        
      0.4425000              0.5911381        
Tc    D
      0.1364000              1.0000000        
end
basis "Ru_LANL2DZ ECP" SPHERICAL
Ru    S
      2.5650000             -1.0431056              0.8770128        
      1.5080000              1.3314786             -1.2634660        
      0.5129000              0.5613065             -0.8384987        
      0.1362000              0.0000000              1.0637773        
Ru    S
      0.0417000              1.0000000        
Ru    P
      4.8590000             -0.0945755        
      1.2190000              0.7434798        
      0.4413000              0.3668144        
Ru    P
      0.5725000             -0.0880864        
      0.0830000              1.0283970        
Ru    P
      0.0250000              1.0000000        
Ru    D
      4.1950000              0.0485729        
      1.3770000              0.5105223        
      0.4828000              0.5730028        
Ru    D
      0.1501000              1.0000000        
end
basis "Rh_LANL2DZ ECP" SPHERICAL
Rh    S
      2.6460000             -1.3554084              1.1472137        
      1.7510000              1.6112233             -1.4943525        
      0.5713000              0.5893814             -0.8589704        
      0.1438000              0.0000000              1.0297241        
Rh    S
      0.0428000              1.0000000        
Rh    P
      5.4400000             -0.0987699        
      1.3290000              0.7433595        
      0.4845000              0.3668462        
Rh    P
      0.6595000             -0.0838056        
      0.0869000              1.0244841        
Rh    P
      0.0257000              1.0000000        
Rh    D
      3.6690000              0.0760059        
      1.4230000              0.5158852        
      0.5091000              0.5436585        
Rh    D
      0.1610000              1.0000000        
end
basis "Pd_LANL2DZ ECP" SPHERICAL
Pd    S
      2.7870000             -1.6102393              1.3540775        
      1.9650000              1.8489842             -1.6780848        
      0.6243000              0.6037492             -0.8559381        
      0.1496000              0.0000000              1.0200299        
Pd    S
      0.0436000              1.0000000        
Pd    P
      5.9990000             -0.1034910        
      1.4430000              0.7456952        
      0.5264000              0.3656494        
Pd    P
      0.7368000              0.0763285        
      0.0899000              0.9740065        
Pd    P
      0.0262000              1.0000000        
Pd    D
      6.0910000              0.0376146        
      1.7190000              0.5200479        
      0.6056000              0.5706071        
Pd    D
      0.1883000              1.0000000        
end
basis "Ag_LANL2DZ ECP" SPHERICAL
Ag    S
      2.9500000             -1.7910564              1.0141125        
      2.1490000              2.0244570             -1.2413971        
      0.6684000              0.6072839             -0.4901427        
      0.0997000              0.0000000              1.1128375        
Ag    S
      0.0347000              1.0000000        
Ag    P
      6.5530000             -0.1079117        
      1.5650000              0.7403645        
      0.5748000              0.3721008        
Ag    P
      0.9085000             -0.0418371        
      0.0833000              1.0087586        
Ag    P
      0.0252000              1.0000000        
Ag    D
      3.3910000              0.1396938        
      1.5990000              0.4744421        
      0.6282000              0.5156311        
Ag    D
      0.2108000              1.0000000        
end
basis "Cd_LANL2DZ ECP" SPHERICAL
Cd    S
      0.5095000             -1.2713002        
      0.1924000              1.8002112        
Cd    S
      0.0544000              1.0000000        
Cd    P
      0.8270000             -0.1083020        
      0.1287000              1.0367049        
Cd    P
      0.0405000              1.0000000        
Cd    D
      5.1480000              0.0703071        
      1.9660000              0.5138427        
      0.7360000              0.5416758        
Cd    D
      0.2479000              1.0000000        
end
basis "In_LANL2DZ ECP" SPHERICAL
In    S
      0.4915000             -4.2418681        
      0.3404000              4.4784826        
In    S
      0.0774000              1.0000000        
In    P
      0.9755000             -0.1226473        
      0.1550000              1.0417571        
In    P
      0.0474000              1.0000000        
end
basis "Sn_LANL2DZ ECP" SPHERICAL
Sn    S
      0.5418000             -4.2089644        
      0.3784000              4.5198368        
Sn    S
      0.0926000              1.0000000        
Sn    P
      1.0470000             -0.1417678        
      0.1932000              1.0554488        
Sn    P
      0.0630000              1.0000000        
end
basis "Sb_LANL2DZ ECP" SPHERICAL
Sb    S
      0.5863000             -4.7537662        
      0.4293000              5.1096593        
Sb    S
      0.1078000              1.0000000        
Sb    P
      1.1110000             -0.1811707        
      0.2365000              1.0791649        
Sb    P
      0.0800000              1.0000000        
end
basis "Te_LANL2DZ ECP" SPHERICAL
Te    S
      0.6938000             -2.4115013        
      0.4038000              2.9179976        
Te    S
      0.1165000              1.0000000        
Te    P
      1.2310000             -0.1923340        
      0.2756000              1.0876382        
Te    P
      0.0911000              1.0000000        
end
basis "I_LANL2DZ ECP" SPHERICAL
I    S
      0.7242000             -2.9731048        
      0.4653000              3.4827643        
I    S
      0.1336000              1.0000000        
I    P
      1.2900000             -0.2092377        
      0.3180000              1.1035347        
I    P
      0.1053000              1.0000000        
end
basis "Xe_LANL2DZ ECP" SPHERICAL
Xe    S
      0.7646000             -3.6543172        
      0.5322000              4.1674919        
Xe    S
      0.1491000              1.0000000        
Xe    P
      1.2110000             -0.2616924        
      0.3808000              1.1570355        
Xe    P
      0.1259000              1.0000000        
end
basis "Cs_LANL2DZ ECP" SPHERICAL
Cs    S
      0.8709000             -1.1604798              0.8237727        
      0.5393000              1.4198515             -1.0709181        
      0.1724000              0.5872905             -0.9085122        
      0.0393000              0.0000000              1.0774049        
Cs    S
      0.0151000              1.0000000        
Cs    P
      1.4680000             -0.1321033        
      0.4134000              0.6572410        
      0.1536000              0.4756456        
Cs    P
      0.1458000             -0.1680556        
      0.0279000              1.0665746        
Cs    P
      0.0113000              1.0000000        
end
basis "Ba_LANL2DZ ECP" SPHERICAL
Ba    S
      0.8699000             -2.2549747              2.0391383        
      0.6676000              2.5145786             -2.3717712        
      0.1982000              0.5775184             -1.2758006        
      0.0823000              0.0000000              1.1703346        
Ba    S
      0.0231000              1.0000000        
Ba    P
      1.6050000             -0.1626403        
      0.4790000              0.6971289        
      0.1818000              0.4505107        
Ba    P
      0.1804000             -0.2642537        
      0.0476000              1.1347212        
Ba    P
      0.0192000              1.0000000        
end
basis "La_LANL2DZ ECP" SPHERICAL
La    S
      0.9167000             -3.0240751              2.6910243        
      0.7427000              3.2971476             -3.0474363        
      0.2237000              0.5513542             -1.1030211        
      0.0792000              0.0000000              1.1941863        
La    S
      0.0239000              1.0000000        
La    P
      1.5540000             -0.1817168        
      0.5622000              0.6632226        
      0.2239000              0.5029782        
La    P
      0.2125000             -0.1968810        
      0.0483000              1.0907542        
La    P
      0.0179000              1.0000000        
La    D
      0.4524000              0.4468051        
      0.1602000              0.6543493        
La    D
      0.0531000              1.0000000        
end
basis "Hf_LANL2DZ ECP" SPHERICAL
Hf    S
      1.9500000             -1.2260850              1.0778382        
      1.1830000              1.5695074             -1.5010862        
      0.3897000              0.4933412             -1.1982175        
      0.1656000              0.0000000              1.2290296        
Hf    S
      0.0424000              1.0000000        
Hf    P
      1.9720000             -0.6323467        
      1.3540000              1.0465162        
      0.4134000              0.5801670        
Hf    P
      0.3427000             -0.1739178        
      0.0804000              1.0841644        
Hf    P
      0.0274000              1.0000000        
Hf    D
      0.8226000              0.4490405        
      0.2585000              0.6723891        
Hf    D
      0.0762000              1.0000000        
end
basis "Ta_LANL2DZ ECP" SPHERICAL
Ta    S
      2.0440000             -1.3104779              1.1897315        
      1.2670000              1.6579925             -1.6650462        
      0.4157000              0.4848337             -1.0563335        
      0.1671000              0.0000000              1.1840652        
Ta    S
      0.0482000              1.0000000        
Ta    P
      2.5650000             -0.2917238        
      1.2290000              0.7570649        
      0.4244000              0.5240081        
Ta    P
      0.4360000             -0.1513014        
      0.0840000              1.0613123        
Ta    P
      0.0280000              1.0000000        
Ta    D
      0.8948000              0.4731072        
      0.2989000              0.6399200        
Ta    D
      0.0935000              1.0000000        
end
basis "W_LANL2DZ ECP" SPHERICAL
W    S
      2.1370000             -1.3916151              1.2985088        
      1.3470000              1.7510261             -1.8102429        
      0.4366000              0.4694647             -1.0844531        
      0.1883000              0.0000000              1.2580618        
W    S
      0.0518000              1.0000000        
W    P
      3.0050000             -0.2405563        
      1.2280000              0.7364092        
      0.4415000              0.4881487        
W    P
      0.4010000             -0.1497499        
      0.0900000              1.0707463        
W    P
      0.0280000              1.0000000        
W    D
      0.9519000              0.4985265        
      0.3270000              0.6111110        
W    D
      0.1054000              1.0000000        
end
basis "Re_LANL2DZ ECP" SPHERICAL
Re    S
      2.1850000             -1.6223730              1.5459752        
      1.4510000              1.9938647             -2.0758927        
      0.4585000              0.4531166             -1.1922396        
      0.2314000              0.0000000              1.2272864        
Re    S
      0.0566000              1.0000000        
Re    P
      3.3580000             -0.2318667        
      1.2710000              0.7458683        
      0.4644000              0.4632686        
Re    P
      0.4960000             -0.1311370        
      0.0890000              1.0503671        
Re    P
      0.0280000              1.0000000        
Re    D
      1.1160000              0.4689888        
      0.4267000              0.6209591        
Re    D
      0.1378000              1.0000000        
end
basis "Os_LANL2DZ ECP" SPHERICAL
Os    S
      2.2220000             -1.6538036              1.6046968        
      1.4960000              2.0670297             -2.2120386        
      0.4774000              0.4232017             -1.1301209        
      0.2437000              0.0000000              1.2654553        
Os    S
      0.0583000              1.0000000        
Os    P
      2.5180000             -0.4177345        
      1.4600000              0.9434947        
      0.4923000              0.4672976        
Os    P
      0.5100000             -0.1490279        
      0.0980000              1.0603616        
Os    P
      0.0290000              1.0000000        
Os    D
      1.1830000              0.4838470        
      0.4492000              0.6079573        
Os    D
      0.1463000              1.0000000        
end
basis "Ir_LANL2DZ ECP" SPHERICAL
Ir    S
      2.3500000             -1.6784642              1.6464467        
      1.5820000              2.0952553             -2.2748150        
      0.5018000              0.4162934             -1.0494357        
      0.2500000              0.0000000              1.2167791        
Ir    S
      0.0598000              1.0000000        
Ir    P
      2.7920000             -0.3889212        
      1.5410000              0.9077516        
      0.5285000              0.4691443        
Ir    P
      0.5100000             -0.1170669        
      0.0980000              1.0489002        
Ir    P
      0.0290000              1.0000000        
Ir    D
      1.2400000              0.5087022        
      0.4647000              0.5862102        
Ir    D
      0.1529000              1.0000000        
end
basis "Pt_LANL2DZ ECP" SPHERICAL
Pt    S
      2.5470000             -1.4739175              1.4388166        
      1.6140000              1.9115719             -2.0911821        
      0.5167000              0.3922319             -1.0921315        
      0.2651000              0.0000000              1.3426596        
Pt    S
      0.0580000              1.0000000        
Pt    P
      2.9110000             -0.5247438        
      1.8360000              0.9671884        
      0.5982000              0.5438632        
Pt    P
      0.6048000             -0.1061438        
      0.0996000              1.0383102        
Pt    P
      0.0290000              1.0000000        
Pt    D
      1.2430000              0.5598150        
      0.4271000              0.5511090        
Pt    D
      0.1370000              1.0000000        
end
basis "Au_LANL2DZ ECP" SPHERICAL
Au    S
      2.8090000             -1.2021556              1.1608481        
      1.5950000              1.6741578             -1.8642846        
      0.5327000              0.3526593             -1.0356230        
      0.2826000              0.0000000              1.3064399        
Au    S
      0.0598000              1.0000000        
Au    P
      3.6840000             -0.2802681        
      1.6660000              0.7818398        
      0.5989000              0.4804776        
Au    P
      0.6838000             -0.0952078        
      0.0977000              1.0299147        
Au    P
      0.0279000              1.0000000        
Au    D
      1.2870000              0.5844273        
      0.4335000              0.5298161        
Au    D
      0.1396000              1.0000000        
end
basis "Pb_LANL2DZ ECP" SPHERICAL
Pb    S
      0.5135000             -4.3675036        
      0.3756000              4.8504656        
Pb    S
      0.0944000              1.0000000        
Pb    P
      0.8748000             -0.1793128        
      0.1843000              1.0776505        
Pb    P
      0.0598000              1.0000000        
end
basis "Bi_LANL2DZ ECP" SPHERICAL
Bi    S
      0.5744000             -3.2278875        
      0.3851000              3.7637689        
Bi    S
      0.1050000              1.0000000        
Bi    P
      0.9105000             -0.2164189        
      0.2194000              1.1041867        
Bi    P
      0.0745000              1.0000000        
end
basis "U_LANL2DZ ECP" SPHERICAL
U    S
      2.4440000              0.2802780             -0.0837540        
      1.4330000             -1.3231100              0.6082360        
      0.6677000              1.3949990             -0.8184330        
      0.2556000              0.4531230             -0.9057530        
      0.1200000              0.0000000              1.2340200        
U    S
      0.0400000              1.0000000        
U    P
      1.1380000             -0.5581500              0.2257630        
      0.6874000              0.9701720             -0.4204690        
      0.2506000              0.5419030             -0.5459030        
      0.1200000              0.0000000              0.7429360        
U    P
      0.0400000              1.0000000        
U    D
      0.3826000              1.0000000        
U    D
      0.1473000              1.0000000        
U    F
      4.1130000              0.2189930        
      1.6970000              0.4595390        
U    F
      0.6774000              0.4216990        
      0.2510000              0.1790660        
end
basis "Np_LANL2DZ ECP" SPHERICAL
Np    S
      2.3780000              0.5719500             -0.2204320        
      1.5750000             -1.9571550              0.9324950        
      0.8950000              1.4731800             -0.8246300        
      0.3180000              0.7126170             -0.9022650        
      0.1130000              0.0000000              1.1030570        
Np    S
      0.0400000              1.0000000        
Np    P
      1.3050000             -0.4680230              0.1995460        
      0.7210000              0.8473720             -0.3949300        
      0.2690000              0.5628310             -0.4360310        
      0.1000000              0.0000000              0.7862530        
Np    P
      0.0374000              1.0000000        
Np    D
      0.3960000              1.0000000        
Np    D
      0.1500000              1.0000000        
Np    F
      4.7910000              0.1853610        
      1.9830000              0.4568540        
Np    F
      0.7890000              0.4369420        
      0.2900000              0.1981980        
end
basis "Pu_LANL2DZ ECP" SPHERICAL
Pu    S
     11.5600000             -0.0364860              0.0175310        
      2.4870000              1.6156990             -0.7027910        
      1.7990000             -3.6388560              1.7339680        
      1.1760000              2.0314710             -1.0902960        
      0.3590000              0.8533040             -0.9450600        
      0.1130000              0.0000000              1.1062660        
Pu    S
      0.0400000              1.0000000        
Pu    P
      2.5800000              0.2005000             -0.0697090        
      1.6220000             -0.5912260              0.2196110        
      0.7482000              0.7974730             -0.3575470        
      0.2793000              0.5635550             -0.4281660        
      0.1000000              0.0000000              0.7932680        
Pu    P
      0.0370000              1.0000000        
Pu    D
      0.4090000              1.0000000        
Pu    D
      0.1520000              1.0000000        
Pu    F
      4.8570000              0.2066870        
      2.0310000              0.4696250        
Pu    F
      0.8150000              0.4212150        
      0.3020000              0.1725220        
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).
#   

#  LANL2DZ ECP  EMSL  Basis Set Exchange Library  3/15/13 10:19 AM
# 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).
#   


ecp "Na_LANL2DZ ECP"
Na nelec 10
Na ul
1    175.5502590            -10.0000000        
2     35.0516791            -47.4902024        
2      7.9060270            -17.2283007        
2      2.3365719             -6.0637782        
2      0.7799867             -0.7299393        
Na S
0    243.3605846              3.0000000        
1     41.5764759             36.2847626        
2     13.2649167             72.9304880        
2      3.6797165             23.8401151        
2      0.9764209              6.0123861        
Na P
0   1257.2650682              5.0000000        
1    189.6248810            117.4495683        
2     54.5247759            423.3986704        
2     13.7449955            109.3247297        
2      3.6813579             31.3701656        
2      0.9461106              7.1241813        
end
ecp "Mg_LANL2DZ ECP"
Mg nelec 10
Mg ul
1    237.5484804            -10.0000000        
2     47.7520367            -55.8993968        
2     10.7837852            -20.1391957        
2      3.1992124             -7.0679107        
2      1.0636953             -0.8133109        
Mg S
0    348.3008631              3.0000000        
1     59.4680133             44.0075660        
2     19.0767582            107.3861344        
2      5.2965613             35.8289088        
2      1.3867373             10.1143435        
Mg P
0   1256.8739085              5.0000000        
1    189.8608839            117.1053672        
2     54.6949631            420.5972073        
2     13.8990137            107.6122959        
2      3.9597181             29.1002576        
2      1.2552787              7.0875570        
end
ecp "Al_LANL2DZ ECP"
Al nelec 10
Al ul
1    304.7291926            -10.0000000        
2     61.5299768            -63.8079837        
2     13.9259006            -22.8972174        
2      4.1463626             -8.0063232        
2      1.3715443             -0.8829345        
Al S
0    467.8437756              3.0000000        
1     79.3992216             50.9705682        
2     25.4035967            143.8716460        
2      6.9954696             48.0055753        
2      1.7860129             14.0114180        
Al P
0    776.2717190              5.0000000        
1    118.4992254             93.0595424        
2     34.4107276            266.7686329        
2      8.7859563             70.0725805        
2      2.3406228             17.2290839        
2      0.7398386              0.7105331        
end
ecp "Si_LANL2DZ ECP"
Si nelec 10
Si ul
1    505.3137693            -10.0000000        
2    103.2221026            -84.9236087        
2     23.4569248            -30.3299410        
2      6.7505693            -12.1049046        
2      2.1603140             -1.8945408        
Si S
0    689.4910719              3.0000000        
1    114.1728510             60.5206833        
2     35.7424336            201.3086137        
2      9.4529586             65.9399745        
2      2.2543590             19.0300789        
Si P
0     88.9379355              5.0000000        
1     76.7773538              6.6413817        
2     56.1480987            247.5972416        
2     21.1874014            129.3715380        
2      6.8277276             47.4617107        
2      2.1001192             11.7376574        
end
ecp "P_LANL2DZ ECP"
P nelec 10
P ul
1    462.1211423            -10.0000000        
2     93.6863701            -79.4864658        
2     21.2349094            -28.3668251        
2      6.3388415             -9.8577589        
2      2.0620684             -1.0163783        
P S
0     78.0831823              3.0000000        
1     58.9576810             12.9104154        
2     36.0571255            150.0250298        
2     11.2464453             71.7083146        
2      2.6757561             23.0397012        
P P
0     75.1617880              5.0000000        
1     57.4544041              6.3446507        
2     47.9481748            198.5585104        
2     18.4588360            111.1470820        
2      5.9414190             40.3944144        
2      1.8487507              6.4483233        
end
ecp "S_LANL2DZ ECP"
S nelec 10
S ul
1    532.6685222            -10.0000000        
2    108.1342248            -85.3593846        
2     24.5697664            -30.4513290        
2      7.3702438            -10.3745886        
2      2.3712569             -0.9899295        
S S
0    106.3176781              3.0000000        
1    100.8245833             10.6284036        
2     53.5858472            223.6360469        
2     15.3706332             93.6460845        
2      3.1778402             28.7609065        
S P
0    101.9709185              5.0000000        
1     93.2808973              6.0969842        
2     65.1431772            285.4425500        
2     24.6347440            147.1448413        
2      7.8120535             53.6569778        
2      2.3112730              8.9249559        
end
ecp "Cl_LANL2DZ ECP"
Cl nelec 10
Cl ul
1     94.8130000            -10.0000000        
2    165.6440000             66.2729170        
2     30.8317000            -28.9685950        
2     10.5841000            -12.8663370        
2      3.7704000             -1.7102170        
Cl S
0    128.8391000              3.0000000        
1    120.3786000             12.8528510        
2     63.5622000            275.6723980        
2     18.0695000            115.6777120        
2      3.8142000             35.0606090        
Cl P
0    216.5263000              5.0000000        
1     46.5723000              7.4794860        
2    147.4685000            613.0320000        
2     48.9869000            280.8006850        
2     13.2096000            107.8788240        
2      3.1831000             15.3439560        
end
ecp "Ar_LANL2DZ ECP"
Ar nelec 10
Ar ul
1    711.5242175            -10.0000000        
2    144.6708689            -99.0606669        
2     32.9246992            -35.2711767        
2      9.9103877            -11.8151947        
2      3.1328926             -1.0453382        
Ar S
0    152.8553033              3.0000000        
1     82.1424792             11.2465621        
2     83.7154800            250.7412812        
2     23.8557161            139.1606543        
2      4.3128823             41.2897981        
Ar P
0    212.5573747              5.0000000        
1    266.4884712              5.2787358        
2    139.9222477            631.7135166        
2     50.1097659            305.1649809        
2     14.5537276            106.4807615        
2      3.4828623             17.0215765        
end
ecp "K_LANL2DZ ECP"
K nelec 10
K ul
1   1067.1081575            -10.0000000        
2    218.4185142           -124.3469306        
2     50.0433502            -43.9937468        
2     14.9374500            -16.5946158        
2      5.0996937             -1.8728686        
K S
0     16.5503988              3.0000000        
1     19.1641591             10.4828609        
2      4.8910684             45.4561569        
K P
0     95.3645855              5.0000000        
1    119.1209062              5.5748307        
2     57.0795815            309.6493189        
2     17.4450910            125.5951809        
2      4.4636131             23.1977649        
end
ecp "Ca_LANL2DZ ECP"
Ca nelec 10
Ca ul
1   1270.4543808            -10.0000000        
2    260.2495057           -136.3684190        
2     59.7068501            -48.3403600        
2     17.6818150            -18.5141902        
2      5.9668207             -2.2114740        
Ca S
0     18.6029912              3.0000000        
1     21.4138971             11.7228027        
2      5.6851879             54.2117561        
Ca P
0    134.7687233              5.0000000        
1    181.8458004              5.1639340        
2     80.9240132            442.8686022        
2     23.3806993            175.0255989        
2      5.1868564             28.8217434        
end
ecp "Sc_LANL2DZ ECP"
Sc nelec 10
Sc ul
1    237.3166528            -10.0000000        
2     42.6489004            -48.9695553        
2     10.6211229             -8.7066044        
Sc S
0     69.2552324              3.0000000        
1     58.8953416             17.0584559        
2     27.2637459            167.9595412        
2      5.4737304            179.8382113        
2      5.1523607           -121.1523144        
Sc P
0     77.2512970              5.0000000        
1     44.4527155              6.1088195        
2     53.6854752            192.9384914        
2     18.9421170            127.2274755        
2      4.7970573             68.0945974        
2      4.4142925            -41.6469108        
end
ecp "Ti_LANL2DZ ECP"
Ti nelec 10
Ti ul
1    265.3263909            -10.0000000        
2     47.7687815            -51.8427816        
2     11.8903334             -9.1429145        
Ti S
0     81.4730696              3.0000000        
1     72.6496724             19.4825579        
2     31.8128213            207.3349279        
2      6.1664468            235.6744501        
2      5.8268347           -166.8784387        
Ti P
0     50.2966943              5.0000000        
1     63.5089754              5.5348822        
2     26.0996084            177.8419384        
2      5.6022573            107.4207153        
2      5.2171069            -71.9065902        
end
ecp "V_LANL2DZ ECP"
V nelec 10
V ul
1    296.4487582            -10.0000000        
2     53.5015052            -54.8909808        
2     13.3204510             -9.7010586        
V S
0     93.2193654              3.0000000        
1     71.1029567             22.5345689        
2     33.8766993            216.5634009        
2      6.8691200            252.6822538        
2      6.4804722           -176.2671654        
V P
0     52.0953977              5.0000000        
1     65.6778411              5.7003555        
2     27.4703764            182.9054274        
2      6.2352020            117.2756226        
2      5.8139909            -78.5829134        
end
ecp "Cr_LANL2DZ ECP"
Cr nelec 10
Cr ul
1    329.2720539            -10.0000000        
2     59.5487597            -57.9409398        
2     14.8265966            -10.2623285        
Cr S
0    100.0260653              3.0000000        
1     67.8468124             25.2534599        
2     34.6771006            210.6472366        
2      7.6757005            235.2819587        
2      7.2077427           -152.5343461        
Cr P
0     47.9723321              5.0000000        
1     59.6224873              5.6390266        
2     26.0432600            164.8362198        
2      6.5582692            106.0168018        
2      6.1268236            -69.8585468        
end
ecp "Mn_LANL2DZ ECP"
Mn nelec 10
Mn ul
1    357.3914469            -10.0000000        
2     64.6477389            -60.2990287        
2     16.0960833            -10.4217834        
Mn S
0    107.4127215              3.0000000        
1    111.4958973             16.2591819        
2     46.5568346            276.9373928        
2      8.3688135            241.3174342        
2      7.7237489           -146.4635329        
Mn P
0     80.0415103              5.0000000        
1    105.6043646              5.7589756        
2     40.8300466            285.2918654        
2      8.0098457            143.4222647        
2      7.3390928            -88.7031851        
end
ecp "Fe_LANL2DZ ECP"
Fe nelec 10
Fe ul
1    392.6149787            -10.0000000        
2     71.1756979            -63.2667518        
2     17.7320281            -10.9613338        
Fe S
0    126.0571895              3.0000000        
1    138.1264251             18.1729137        
2     54.2098858            339.1231164        
2      9.2837966            317.1068012        
2      8.6289082           -207.3421649        
Fe P
0     83.1759490              5.0000000        
1    106.0559938              5.9535930        
2     42.8284937            294.2665527        
2      8.7701805            154.4244635        
2      8.0397818            -95.3164249        
end
ecp "Co_LANL2DZ ECP"
Co nelec 10
Co ul
1    434.1076104            -10.0000000        
2     78.8402758            -66.7240276        
2     19.6037749            -11.7192243        
Co S
0    151.2307582              3.0000000        
1    169.6790026             20.1553110        
2     64.9909423            413.3762244        
2     12.5076287            133.8727705        
Co P
0     92.7319924              5.0000000        
1    121.1910183              6.1892353        
2     48.6265909            326.3215919        
2     11.9966971             73.8788970        
end
ecp "Ni_LANL2DZ ECP"
Ni nelec 10
Ni ul
1    469.9324331            -10.0000000        
2     85.4236411            -69.4084805        
2     21.2674984            -12.0951020        
Ni S
0    162.1686097              3.0000000        
1    176.5333232             22.0253618        
2     68.9562010            443.0181088        
2     13.5792838            145.5696411        
Ni P
0     69.0181506              5.0000000        
1    275.5955596              4.9882824        
2     47.1315453            256.6945853        
2     12.9874075             78.4754450        
end
ecp "Cu_LANL2DZ ECP"
Cu nelec 10
Cu ul
1    511.9951763            -10.0000000        
2     93.2801074            -72.5548282        
2     23.2206669            -12.7450231        
Cu S
0    173.1180854              3.0000000        
1    185.2419886             23.8351825        
2     73.1517847            473.8930488        
2     14.6884157            157.6345823        
Cu P
0    100.7191369              5.0000000        
1    130.8345665              6.4990936        
2     53.8683720            351.4605395        
2     14.0989469             85.5016036        
end
ecp "Zn_LANL2DZ ECP"
Zn nelec 18
Zn ul
1    386.7379660            -18.0000000        
2     72.8587359           -124.3527403        
2     15.9066170            -30.6601822        
2      4.3502340            -10.6358989        
2      1.2842199             -0.7683623        
Zn S
0     19.0867858              3.0000000        
1      5.0231080             22.5234225        
2      1.2701744             48.4465942        
2      1.0671287            -44.5560119        
2      0.9264190             12.9983958        
Zn P
0     43.4927750              5.0000000        
1     20.8692669             20.7435589        
2     21.7118378             90.3027158        
2      6.3616915             74.6610316        
2      1.2291195              9.8894424        
Zn D
2     13.5851800             -4.8490359        
2      9.8373050              3.6913379        
2      0.8373113             -0.5037319        
end
ecp "Ga_LANL2DZ ECP"
Ga nelec 28
Ga ul
1    260.9051184            -28.0000000        
2     50.4244564           -161.6248634        
2     10.7195520            -49.2659751        
2      3.1563995            -16.9305942        
2      0.9502385             -1.5149893        
Ga S
0    339.0575995              3.0000000        
1     95.9625227             93.8597449        
2     30.0989360            308.6495485        
2      7.8907039             94.7290607        
2      2.1154234             27.0931066        
Ga P
0     30.1202708              5.0000000        
1     14.6143825             22.8495315        
2     12.4639433             43.3974907        
2      5.1039219             48.6203923        
2      1.6566033             14.7365483        
Ga D
0     32.2704306              3.0000000        
1     10.9444004             24.2994834        
2      4.5111791             35.4415813        
2      1.5561710              9.1055575        
2      0.5550926              0.9601121        
end
ecp "Ge_LANL2DZ ECP"
Ge nelec 28
Ge ul
1    318.2167583            -28.0000000        
2     61.5370967           -180.9891676        
2     13.2986899            -55.0043909        
2      3.8985215            -19.7906526        
2      1.2137666             -1.8533572        
Ge S
0    205.1886932              3.0000000        
1     68.9790278             65.2262558        
2     27.9194879            225.2354522        
2      8.5481650             94.0125472        
2      2.3173734             29.9415005        
Ge P
0     33.2488002              5.0000000        
1     15.7777247             23.4778157        
2     14.9260722             45.0980414        
2      5.8416394             56.3326957        
2      1.8349575             16.6058640        
Ge D
0     42.0206343              3.0000000        
1     19.2096363             23.7371518        
2      9.4133917             56.4792249        
2      3.3282907             25.8901835        
2      0.8522331              3.0229836        
end
ecp "As_LANL2DZ ECP"
As nelec 28
As ul
1    375.4748803            -28.0000000        
2     72.6554769           -198.3687357        
2     15.9162677            -60.4563798        
2      4.6420251            -22.3188274        
2      1.4789182             -2.1638290        
As S
0    105.8853870              3.0000000        
1     62.5951846             31.8486777        
2     34.5017431            200.9958215        
2     10.3758594            102.6387604        
2      2.5379347             34.1845359        
As P
0     37.6471440              5.0000000        
1     17.2034665             24.2505747        
2     18.9075709             48.9174963        
2      6.8153452             66.5332259        
2      2.0611853             19.6577666        
As D
0     52.0731335              3.0000000        
1     28.0037824             23.3460712        
2     14.7051208             80.7854919        
2      4.7973194             40.2681347        
2      1.1062763              4.8332790        
end
ecp "Se_LANL2DZ ECP"
Se nelec 28
Se ul
1    433.1931336            -28.0000000        
2     83.8952157           -214.3841762        
2     18.5839139            -65.6918782        
2      5.3955286            -24.6153932        
2      1.7474326             -2.4481497        
Se S
0    202.8986193              3.0000000        
1     78.3820487             62.0295390        
2     35.0753037            258.8555984        
2     10.8769543            118.7800153        
2      2.8005941             38.2355279        
Se P
0     44.3011875              5.0000000        
1     20.3874206             24.7973458        
2     23.1889948             63.7575640        
2      7.9777664             79.0512831        
2      2.2988146             22.9520183        
Se D
0     73.3628263              3.0000000        
1     48.3835618             22.4705907        
2     25.6297211            140.5492887        
2      7.1705822             63.5781835        
2      1.3639538              7.0753614        
end
ecp "Br_LANL2DZ ECP"
Br nelec 28
Br ul
1    213.6143969            -28.0000000        
2     41.0585380           -134.9268852        
2      8.7086530            -41.9271913        
2      2.6074661             -5.9336420        
Br S
0     54.1980682              3.0000000        
1     32.9053558             27.3430642        
2     13.6744890            118.8028847        
2      3.0341152             43.4354876        
Br P
0     54.2563340              5.0000000        
1     26.0095593             25.0504252        
2     28.2012995             92.6157463        
2      9.4341061             95.8249016        
2      2.5321764             26.2684983        
Br D
0     87.6328721              3.0000000        
1     61.7373377             22.5533557        
2     32.4385104            178.1241988        
2      8.7537199             76.9924162        
2      1.6633189              9.4818270        
end
ecp "Kr_LANL2DZ ECP"
Kr nelec 28
Kr ul
1    237.5470853            -28.0000000        
2     45.7406754           -143.4259955        
2      9.7073237            -44.3723838        
2      2.9320738             -6.2911252        
Kr S
0     70.7606918              3.0000000        
1     33.6809745             37.1893647        
2     13.8075281            132.2973958        
2      3.3188254             47.9346985        
Kr P
0     57.7676804              5.0000000        
1     27.6779453             26.1564008        
2     30.4757449             96.3176501        
2     10.3642639            103.6632794        
2      2.8470827             31.0779315        
Kr D
0     85.3902277              3.0000000        
1     36.0781993             24.4356537        
2     38.0387668             85.7229402        
2     10.6069882             91.6970578        
2      1.9390148             11.8300709        
end
ecp "Rb_LANL2DZ ECP"
Rb nelec 28
Rb ul
0    879.5983664             -0.0364362        
1    142.0188695            -20.8033052        
2     40.9346882           -115.4661910        
2      9.9084802            -42.5061293        
2      3.1556041             -5.5247889        
Rb S
0     70.9807215              2.9747910        
1     38.6949807             36.1170435        
2     15.9082035            152.2741068        
2      3.7152659             53.7151906        
Rb P
0     93.3058684              4.9551026        
1     47.1221370             24.2726236        
2     48.8050640            215.2341411        
2     14.3784949            151.6687666        
2      3.0547807             33.8750280        
Rb D
0     33.0477430              3.0465224        
1      9.9601880             29.4243624        
2      3.7403577             33.4431808        
2      0.8124208             11.1029460        
end
ecp "Sr_LANL2DZ ECP"
Sr nelec 28
Sr ul
0    782.3804631             -0.0384323        
1    124.6542338            -20.6174271        
2     36.9874966           -101.1737744        
2      9.8828819            -38.7743603        
2      3.2829588             -4.6479243        
Sr S
0     59.3240631              2.9989022        
1     55.2038472             25.6552669        
2     20.4692092            183.1818533        
2      3.9588141             58.4384739        
Sr P
0     92.1201991              4.9551189        
1     46.8132559             25.4472367        
2     48.6566432            203.8002780        
2     14.9503238            155.0518740        
2      3.4268785             39.3605192        
Sr D
0     65.8291301              3.0056451        
1     32.7282621             26.7064119        
2     21.1146030             74.5756901        
2      9.1071292             63.1742121        
2      2.8110754             20.2961162        
end
ecp "Y_LANL2DZ ECP"
Y nelec 28
Y ul
0    578.4310349             -0.0404817        
1    152.7792004            -20.6194344        
2     44.9301524           -116.7522279        
2     11.4587918            -43.7975806        
2      3.7523267             -5.4247609        
Y S
0     59.4715114              2.9801339        
1     17.2173553             34.7834676        
2     18.4797093             28.8453246        
2      4.3276192             64.7642088        
Y P
0     45.7271005              4.9885783        
1     49.4595886             19.6506564        
2     18.9952373            194.0943181        
2      3.6603193             43.1349769        
Y D
0     62.8268435              3.0066647        
1     31.8897904             25.9879250        
2     18.3646572             85.7172897        
2      7.3062400             48.7792568        
2      2.4051635             11.4535104        
end
ecp "Zr_LANL2DZ ECP"
Zr nelec 28
Zr ul
0    645.9321873             -0.0425843        
1    134.7547401            -20.2222409        
2     42.3074619           -101.8695172        
2     12.0003227            -41.6195784        
2      4.1260454             -4.6986160        
Zr S
0    117.6251862              2.7910559        
1     22.9646089             41.9489459        
2      4.5225298             67.7271866        
Zr P
0     47.1953145              4.9911144        
1     48.0356033             20.7193172        
2     19.4541456            195.5867758        
2      4.0512875             48.2877176        
Zr D
0     79.9073983              3.0049226        
1     45.8263798             25.9377989        
2     26.9903522            125.1244934        
2      9.6835718             70.7634022        
2      2.7995666             15.0492822        
end
ecp "Nb_LANL2DZ ECP"
Nb nelec 28
Nb ul
0    342.9638405             -0.0447401        
1    139.9308014            -20.0535100        
2     43.3523405           -103.7244021        
2     12.4448533            -41.0459165        
2      4.3204837             -4.2046219        
Nb S
0    112.8630617              2.7964669        
1     22.9678676             42.8845786        
2      4.9340673             75.1876966        
Nb P
0     63.6801963              4.9461846        
1     23.0912429             24.8316376        
2     24.4283647            137.9183292        
2      4.2310090             50.9778471        
Nb D
0     99.3359636              3.0064059        
1     64.0586472             25.5347458        
2     37.0891011            178.9597452        
2     12.0708574             92.9577490        
2      3.1575323             18.4744256        
end
ecp "Mo_LANL2DZ ECP"
Mo nelec 28
Mo ul
0    537.9667807             -0.0469492        
1    147.8982938            -20.2080084        
2     45.7358898           -106.2116302        
2     13.2911467            -41.8107368        
2      4.7059961             -4.2054103        
Mo S
0    110.2991760              2.8063717        
1     23.2014645             44.5162012        
2      5.3530131             82.7785227        
Mo P
0     63.2901397              4.9420876        
1     23.3315302             25.8604976        
2     24.6759423            132.4708742        
2      4.6493040             57.3149794        
Mo D
0    104.4839977              3.0054591        
1     66.2307245             26.3637851        
2     39.1283176            183.3849199        
2     13.1164437             98.4453068        
2      3.6280263             22.4901377        
end
ecp "Tc_LANL2DZ ECP"
Tc nelec 28
Tc ul
0    501.1199409             -0.0492115        
1    150.2468844            -20.1467308        
2     46.7097914           -105.5792880        
2     13.9339014            -41.5901197        
2      4.9854069             -3.9415111        
Tc S
0    108.1775995              2.8222374        
1     23.6594351             46.7330708        
2      5.7814977             90.5318657        
Tc P
0     63.3062014              4.9390782        
1     23.6935532             26.9229631        
2     25.0525854            128.5079796        
2      5.0717084             63.7490250        
Tc D
0    102.7721397              2.9921902        
1     45.6713756             28.1821379        
2     48.2611997             89.0548465        
2     15.7089115            121.1894325        
2      3.9484576             25.5866973        
end
ecp "Ru_LANL2DZ ECP"
Ru nelec 28
Ru ul
0    554.3796303             -0.0515270        
1    155.1066871            -20.1816536        
2     48.4976263           -105.9966915        
2     14.7701594            -42.2166788        
2      5.2077363             -3.7675024        
Ru S
0     66.7118060              2.9578344        
1     77.3503632             25.3748707        
2     18.3571445            536.1262372        
2     11.8404727           -651.2057221        
2      8.1179479            381.3816943        
Ru P
0     54.9937915              4.9651557        
1     13.9399212             23.8861501        
2     15.2118246            464.4631344        
2     10.5460691           -714.4451788        
2      7.5539486            377.5503594        
Ru D
0     60.3444595              3.0352988        
1     45.2100305             23.2901723        
2     19.1190074            146.0926620        
2      4.2712090             28.9129770        
end
ecp "Rh_LANL2DZ ECP"
Rh nelec 28
Rh ul
0    600.3243032             -0.0538958        
1    157.6910176            -20.1316282        
2     49.8841995           -105.3654121        
2     15.5966895            -42.3274370        
2      5.5099296             -3.6654043        
Rh S
0     59.3442526              2.9753728        
1     83.7426061             25.1230306        
2     18.4530248            626.0926145        
2     12.4194606           -812.2549385        
2      8.8172913            467.3729340        
Rh P
0     53.4309068              4.9537213        
1     65.6671843             20.4871116        
2     16.8369862            598.0120139        
2     11.3042136           -718.4059028        
2      8.0312444            382.8173151        
Rh D
0     64.3993653              3.0279532        
1     43.4625053             24.7526516        
2     19.4020301            142.6844289        
2      4.6879328             32.1406857        
end
ecp "Pd_LANL2DZ ECP"
Pd nelec 28
Pd ul
0    598.3336444             -0.0563177        
1    162.4298290            -20.1288036        
2     51.5714771           -105.8197923        
2     16.4888260            -42.5733345        
2      5.8287656             -3.6165086        
Pd S
0     73.3806304              3.0003651        
1     14.7550438             32.4350093        
2     17.8350204            459.0830383        
2     12.7111477           -868.0629029        
2      9.3292063            514.4726098        
Pd P
0     55.6689877              4.9593099        
1     64.2337771             21.1711029        
2     17.6254952            605.0560092        
2     11.9058155           -726.9641846        
2      8.5100832            396.3274883        
Pd D
0     49.9994728              3.0508745        
1     39.7477547             22.2506580        
2     11.4321366            674.8357698        
2      9.1790080          -1040.8554048        
2      7.5624429            505.9375147        
end
ecp "Ag_LANL2DZ ECP"
Ag nelec 28
Ag ul
0    568.7006237             -0.0587930        
1    162.3579066            -20.1145146        
2     51.1025755           -104.2733114        
2     16.9205822            -40.4539787        
2      6.1669596             -3.4420009        
Ag S
0     76.0974658              2.9861527        
1     15.3327359             35.1576460        
2     18.7715345            450.1809906        
2     13.3663294           -866.0248308        
2      9.8236948            523.1110176        
Ag P
0     56.3318043              4.9640671        
1     69.0609098             21.5028219        
2     19.2717998            546.0275453        
2     12.5770654           -600.3822556        
2      8.7956670            348.2949289        
Ag D
0     53.4641078              3.0467486        
1     40.1975457             23.3656705        
2     11.9086073            777.2540117        
2      9.7528183          -1238.8602423        
2      8.1788997            608.0677121        
end
ecp "Cd_LANL2DZ ECP"
Cd nelec 36
Cd ul
0    350.0762490             -0.0613214        
1     81.1757778            -24.9355593        
2     24.7747818            -87.7728765        
2     12.5760330            -19.0665030        
2      4.9889712            -16.1901254        
2      1.8449910             -3.9441254        
2      0.5309494             -0.3097476        
Cd S
0     54.5786193              2.9050102        
1     16.0082316             39.6289198        
2      5.2767462             57.4435790        
2      0.9731070             90.2351166        
2      0.9305646            -71.7139236        
Cd P
0     41.3581766              1.9585463        
1     12.1214982             37.5669844        
2      3.4478806             44.0875104        
2      0.9362175             12.5678599        
Cd D
0     85.3710499              2.9753499        
1     73.0500781             24.7054373        
2     28.4262887            218.2163143        
2      3.9450158            118.9945370        
2      3.5349379            -82.4999671        
2      0.6482194             -0.2413758        
end
ecp "In_LANL2DZ ECP"
In nelec 46
In ul
0      0.1802071             -0.0639031        
1     33.0176528            -29.9082901        
2      9.7219749            -63.3446824        
2      2.3481578            -19.0058428        
2      0.7226853             -2.5161921        
In S
0    173.1403228              3.2301607        
1     58.2752431             76.7809140        
2     21.1294304            245.4770760        
2      5.9581061             79.2892721        
2      1.4830272             26.4089460        
In P
0     35.9438033              4.4690290        
1     11.2431083             43.6473399        
2      3.5340830             50.7565406        
2      1.4120937            -48.6730017        
2      1.2828947             58.7692653        
In D
0     42.6276817              3.1020770        
1     14.5649330             36.5445090        
2      5.5505378             48.8041808        
2      1.8351485             19.4362361        
2      0.5288122              3.9855647        
end
ecp "Sn_LANL2DZ ECP"
Sn nelec 46
Sn ul
0      0.2169021             -0.0665380        
1     33.3097182            -29.7469416        
2      9.8846832            -61.8307278        
2      2.5019593            -18.9410634        
2      0.7833323             -2.2384982        
Sn S
0    155.6062293              2.9482777        
1     56.5145464             63.7614718        
2     22.6583648            230.5276788        
2      6.5837080             85.0713314        
2      1.5947702             28.8215644        
Sn P
0     40.4666705              2.6941946        
1     13.6218440             44.8271079        
2      4.1092688             57.6223370        
2      1.5046137            -44.6853312        
2      1.3646762             57.1351815        
Sn D
0     60.1915052              3.0259297        
1     20.4961142             39.5341071        
2      8.4438328             68.4686504        
2      2.6103790             29.1123764        
2      0.6501317              5.8428577        
end
ecp "Sb_LANL2DZ ECP"
Sb nelec 46
Sb ul
0    227.2723558             -0.0692261        
1     77.1429882            -31.5434712        
2     26.0116501           -115.8407306        
2      9.1421159            -42.0224212        
2      2.9281082            -20.0463938        
2      0.9231136             -2.8796028        
Sb S
0    116.0010888              2.9331303        
1     59.6755065             44.1104819        
2     27.6135849            228.0198050        
2      7.8045081             92.5610162        
2      1.6934418             31.2537244        
Sb P
0     27.8050796              4.9947369        
1     10.3929685             38.0223860        
2      3.6381067             62.0520654        
2      1.9839681            -49.5489389        
2      1.5546562             51.3666000        
Sb D
0     83.2183030              2.9738470        
1     30.3070501             41.6495825        
2     13.2014120            104.5919562        
2      3.6961611             42.3187857        
2      0.7711144              7.9413503        
end
ecp "Te_LANL2DZ ECP"
Te nelec 46
Te ul
0    285.0323292             -0.0719675        
1     75.9105798            -31.3740754        
2     26.1827859           -112.9711996        
2      9.0635141            -41.9599185        
2      2.9543257            -19.1274006        
2      0.9169942             -2.2917778        
Te S
0    188.3327504              2.9286639        
1     68.6306921             68.9626773        
2     27.4402195            276.9637063        
2      7.8835282            104.4701765        
2      1.8443362             34.8384805        
Te P
0     54.0822795              4.9732188        
1     28.5434714             38.8983634        
2     16.8660857            137.3139246        
2      5.5244176             69.7370323        
2      1.4625225             22.7487178        
Te D
0     34.5312648              3.1548778        
1     11.2699366             33.1153649        
2      2.2704361            210.3056318        
2      1.7766992           -321.1963746        
2      1.4251666            152.4853001        
end
ecp "I_LANL2DZ ECP"
I nelec 46
I ul
0      1.0715702             -0.0747621        
1     44.1936028            -30.0811224        
2     12.9367609            -75.3722721        
2      3.1956412            -22.0563758        
2      0.8589806             -1.6979585        
I S
0    127.9202670              2.9380036        
1     78.6211465             41.2471267        
2     36.5146237            287.8680095        
2      9.9065681            114.3758506        
2      1.9420086             37.6547714        
I P
0     13.0035304              2.2222630        
1     76.0331404             39.4090831        
2     24.1961684            177.4075002        
2      6.4053433             77.9889462        
2      1.5851786             25.7547641        
I D
0     40.4278108              7.0524360        
1     28.9084375             33.3041635        
2     15.6268936            186.9453875        
2      4.1442856             71.9688361        
2      0.9377235              9.3630657        
end
ecp "Xe_LANL2DZ ECP"
Xe nelec 46
Xe ul
0    442.5138313             -0.0776099        
1    106.0005534            -32.4332953        
2     32.6123743           -151.0853351        
2      9.4739667            -46.4977626        
2      3.1147195            -17.8080990        
2      0.9194472             -1.6481163        
Xe S
0    148.7400724              2.9170308        
1     74.7687436             52.0620644        
2     34.1548413            293.2865672        
2      9.6899675            122.8610373        
2      2.1065947             41.6867277        
Xe P
0      8.1495157              2.0968515        
1    113.9235640             30.0220424        
2     35.1266431            172.8757636        
2      8.1449579             67.7609841        
2      1.7187138             29.8970913        
Xe D
0     49.4518384              7.0414935        
1     38.9480918             33.3391744        
2     20.0161598            249.2893077        
2      5.0614904             89.3576166        
2      1.0672963             11.6206324        
end
ecp "Cs_LANL2DZ ECP"
Cs nelec 46
Cs ul
0    636.7840130             -0.0805109        
1    147.8912446            -33.4311448        
2     42.5724911           -193.9270887        
2     11.2427883            -56.8301433        
2      3.5689707            -18.6504975        
2      1.3107462             -2.5411399        
Cs S
0     40.8648070              3.0499934        
1     10.9329329             37.9677514        
2      2.2294903             45.2340673        
Cs P
0    118.8598171              4.6406951        
1     30.6847958             62.0313533        
2     10.1762999            129.5909481        
2      1.8272850             31.5186825        
Cs D
0     16.0081704              7.3054473        
1      2.6488291             33.2785760        
2     14.5555672             53.1296948        
2      0.6703604             16.2118878        
end
ecp "Ba_LANL2DZ ECP"
Ba nelec 46
Ba ul
0    620.9690488             -0.0834652        
1    146.3648826            -33.3257671        
2     42.3207114           -190.8607232        
2     11.2135151            -55.1984172        
2      3.6963891            -18.0236340        
2      1.3169502             -2.1978281        
Ba S
0    140.3669200              2.8131160        
1     39.1436547             55.3050626        
2     12.9553493            149.5513402        
2      2.4308751             50.5078553        
Ba P
0     99.4922261              4.9191812        
1     68.2711309             39.3872075        
2     36.1518181            335.0753584        
2     10.1051537            131.2535153        
2      2.0232648             36.3175025        
Ba D
0     95.2752536              2.9764140        
1     34.6604608             46.0571141        
2     15.4891040            117.1658588        
2      5.0015895             54.0130815        
2      1.3236266             15.5784906        
end
ecp "La_LANL2DZ ECP"
La nelec 46
La ul
0    740.9166034             -0.0864727        
1    146.6571499            -33.5168803        
2     42.3585413           -189.0709829        
2     11.1647500            -54.2464367        
2      3.7556343            -17.1351342        
2      1.2871827             -1.8092185        
La S
0    125.6862665              2.8894943        
1     37.5768955             61.9521592        
2     12.6954869            164.8074490        
2      2.6276082             55.6954609        
La P
0    179.1782247              4.5978412        
1     42.6195661             71.6719736        
2     13.4135957            175.8965896        
2      2.0950392             37.9136404        
La D
0    104.7682064              2.9705496        
1     40.1930340             46.5239946        
2     18.5050798            137.4078176        
2      5.8051185             63.4945183        
2      1.4583220             18.0998654        
end
ecp "Hf_LANL2DZ ECP"
Hf nelec 60
Hf ul
1    685.5502931            -60.0000000        
2    151.8080485           -588.4980664        
2     38.0522099           -199.7748820        
2     10.2057544            -77.2365121        
2      3.4376287            -14.6532596        
2      0.8997539             -0.6762204        
Hf S
0    380.1096725              3.0000000        
1    724.6234505             31.3395532        
2    281.4764603           1251.6866138        
2     89.3590988            700.8900106        
2     22.9765773            266.0445845        
2      3.6700035            465.0196155        
2      3.4703000           -369.5404568        
Hf P
0    228.3135771              2.0000000        
1     64.0878447             60.2776972        
2     20.5139289            192.2174983        
2      3.1643736            339.6460089        
2      2.9880924           -266.1066543        
Hf D
0    143.7102399              3.0000000        
1     63.1859170             54.6576760        
2     32.0227449            217.5811427        
2     10.7674922            125.1363084        
2      3.1003260             37.6203195        
Hf F
0     85.0395853              4.0000000        
1     41.8198820             49.6358393        
2     19.6524967            178.4657222        
2      6.0777120             82.0077173        
2      1.4776693              6.3063943        
end
ecp "Ta_LANL2DZ ECP"
Ta nelec 60
Ta ul
1    768.2267533            -60.0000000        
2    173.5940218           -629.7129313        
2     43.7042268           -221.1750503        
2     11.6181319            -83.4769683        
2      4.0314618            -17.8370275        
2      1.0905378             -0.8160609        
Ta S
0    365.4111559              3.0000000        
1    697.1300915             33.9798985        
2    271.7810379           1242.5776244        
2     87.3074263            706.1663884        
2     22.7492339            276.2464563        
2      3.8680082            513.2283132        
2      3.6718891           -412.9601916        
Ta P
0    228.2107367              2.0000000        
1     62.6185462             61.8174163        
2     19.6465670            194.4975479        
2      3.3651559            307.8346671        
2      3.1497236           -230.6346381        
Ta D
0    151.2755554              3.0000000        
1     67.9794911             55.2670978        
2     34.7474706            236.2957545        
2     11.5656425            134.4755072        
2      3.2930148             41.1401183        
Ta F
0     82.8368029              4.0000000        
1     38.0719872             50.7533760        
2     17.4547034            162.0312877        
2      5.6785931             72.0619298        
2      1.5814041              6.0009895        
end
ecp "W_LANL2DZ ECP"
W nelec 60
W ul
1    839.4489120            -60.0000000        
2    192.8532482           -664.1987920        
2     48.6651974           -238.6143651        
2     12.9221727            -88.4192407        
2      4.5748890            -20.6062326        
2      1.2681796             -0.9283792        
W S
0    313.4267518              3.0000000        
1    699.3155462             39.1192967        
2    259.8923741           1180.9692974        
2     85.4999980            728.9564210        
2     22.7635925            293.5591140        
2      4.0764317            562.6731493        
2      3.8827162           -457.3807185        
W P
0    224.3926424              2.0000000        
1     61.6736931             63.8948393        
2     19.1469043            205.8901837        
2      3.5565710            312.1427153        
2      3.3263210           -231.3961281        
W D
0    161.5278958              3.0000000        
1     75.5814607             55.3315256        
2     38.9115852            267.1976653        
2     12.5426271            146.8485578        
2      3.4615187             44.1055243        
W F
0     91.2102727              4.0000000        
1     45.4152756             50.3065523        
2     22.0452967            190.7363098        
2      6.9810413             91.7605552        
2      1.8380480              8.4247312        
end
ecp "Re_LANL2DZ ECP"
Re nelec 60
Re ul
1   1833.8143836             -0.1497104        
2    414.0589456          -1669.2555781        
2     59.0349540           -346.6661129        
2     11.9177094            -96.6684892        
2      3.6531764            -11.0738567        
2      1.2764184             -0.5798552        
Re S
0    247.0023085              3.1497104        
1    631.7195767             45.2969969        
2    249.2800441           1116.4279585        
2     84.2947315            793.6419065        
2     23.0407912            318.2099193        
2      4.2997111            586.3105025        
2      4.0974390           -475.6904164        
Re P
0    193.6897726              2.1497104        
1     56.9308394             64.2295736        
2     18.7227602            218.8504607        
2      3.7340020            344.4189168        
2      3.5127483           -260.4727267        
Re D
0    126.2340824              3.1497104        
1     80.7090826             46.5714868        
2     42.5529714            304.3834595        
2     13.4074494            157.1589652        
2      3.6904228             48.5701211        
Re F
0    112.7786459              3.9569610        
1     56.7815968             52.3586781        
2     28.5831966            236.0340824        
2      8.5734158            116.5787266        
2      2.0892721             11.1050530        
end
ecp "Os_LANL2DZ ECP"
Os nelec 60
Os ul
1    848.8743292             -0.1537293        
2    400.4640004          -1642.9695542        
2     58.0359466           -336.7954567        
2     12.0454682            -94.9839027        
2      3.4442512            -10.3516218        
Os S
0    216.2672249              3.1537293        
1    343.8582098             25.9948233        
2    136.0523606            859.4865756        
2     35.0389457            380.1376504        
2      4.4724452            242.7010666        
2      3.7675119           -125.1753107        
Os P
0    326.0600134              2.1537293        
1     95.6330206             62.8684275        
2     32.5261043            293.1322987        
2      3.7699730            264.4648388        
2      3.3895859           -172.6420314        
Os D
0    131.0319929              3.1537293        
1     89.2464903             45.3399200        
2     46.3976980            335.8575032        
2     14.1866053            166.3037457        
2      3.7668843             49.0237825        
Os F
0    134.7368148              3.9557982        
1     73.8771318             51.9521957        
2     38.1030425            314.2555866        
2     10.5337695            147.1839894        
2      2.3338246             13.9622947        
end
ecp "Ir_LANL2DZ ECP"
Ir nelec 60
Ir ul
1    823.5880147             -0.1578014        
2    364.6613336          -1517.5270446        
2     55.7082801           -316.5306529        
2     12.0464544            -91.8880941        
2      3.5120610             -9.2241773        
Ir S
0    188.0490770              3.1578014        
1    340.4194712             26.8322577        
2    128.2373673            800.4250007        
2     33.8644961            369.4050683        
2      4.7560005            242.4171899        
2      3.9649974           -118.2173282        
Ir P
0    289.7291139              2.1578014        
1     87.4633789             61.9678610        
2     30.4363766            269.0581986        
2      4.0553412            231.1654793        
2      3.5525341           -133.6952667        
Ir D
0    136.4017106              3.1578014        
1     95.0776925             45.9349803        
2     49.2258410            359.0344668        
2     15.0874145            176.4740119        
2      4.0405764             54.5155286        
Ir F
0    127.3507908              3.9546197        
1     66.2364374             52.9773655        
2     34.4299229            274.8643383        
2     10.1995721            137.2047338        
2      2.5409702             14.8633305        
end
ecp "Pt_LANL2DZ ECP"
Pt nelec 60
Pt ul
1    728.9394056             -0.1619268        
2    320.6567800          -1320.2873852        
2     52.8680174           -298.3178135        
2     12.0280128            -87.5837065        
2      3.5238913             -8.1493274        
Pt S
0    409.4437358              2.7334218        
1    274.5419231             59.7024329        
2    127.5658570            891.4589550        
2     32.9036631            368.4467656        
2      5.0593880            238.0263090        
2      4.1506556           -107.0556454        
Pt P
0    466.1728892              1.8878568        
1    120.7888259             76.0138629        
2     36.4118791            343.5511116        
2      5.6985408            119.4911786        
Pt D
0    249.5650763              2.9343678        
1    126.6678585             59.3306571        
2     63.1430586            452.4445194        
2     17.9059470            210.4769479        
2      4.2239373             58.6254112        
Pt F
0    121.8158799              3.9534253        
1     60.8757030             53.8555182        
2     31.4767147            247.4305133        
2      9.8811751            127.8187976        
2      2.7319874             15.3772046        
end
ecp "Au_LANL2DZ ECP"
Au nelec 60
Au ul
1    622.6287956            -60.0000000        
2    136.2843607           -555.5292312        
2     33.1549781           -168.0019785        
2      9.9894895            -63.0399875        
2      3.0481312             -4.2516681        
Au S
0    194.7374304              3.0000000        
1    351.5327447             38.6020880        
2    122.3270402            864.8370727        
2     32.0914617            374.9935520        
2      5.2451812            289.7910100        
2      4.4916223           -152.4532773        
Au P
0    420.6158801              2.0000000        
1    109.4417815             73.8885625        
2     34.1714280            326.6729872        
2      5.9879750            126.5814591        
Au D
0    219.2666158              3.0000000        
1    122.7297786             55.6793149        
2     63.1063369            449.1987335        
2     18.3684520            215.0269091        
2      4.4972844             64.0840995        
Au F
0    108.5506037              4.0000000        
1     56.4795527             51.8065335        
2     29.2069159            231.2183113        
2      9.5440543            119.0047386        
2      2.8965118             15.3424188        
end
ecp "Pb_LANL2DZ ECP"
Pb nelec 78
Pb ul
0    376.5803786             -0.1789605        
1     86.4840014            -54.3972337        
2     26.6784276           -199.7061759        
2      9.4261986            -79.1223941        
2      2.7101719            -24.9869020        
2      0.8792031             -4.4397939        
Pb S
0    132.4248796              2.8115386        
1     47.2376044             65.0367205        
2     17.6312727            212.7868545        
2      5.4744712             72.1053175        
2      1.2634856             33.0140940        
2      0.7651447             -5.7708461        
Pb P
0     67.8966454              4.8754911        
1     24.9898225             63.9148102        
2     10.7052939            148.1064358        
2      3.2792568             47.3106301        
2      0.8452522             21.0306702        
2      0.6416245             -7.0930772        
Pb D
0     68.8336005              3.2161388        
1     24.2815874             55.7386086        
2      9.4532762            121.4168351        
2      2.4788185             19.3456064        
2      2.4789161             15.3675168        
2      0.5551738              6.1298724        
Pb F
0    128.1021322              4.1353682        
1     54.8029154             67.5128446        
2     24.5529308            258.7373107        
2      8.1144792            113.2478264        
2      1.6931290             34.1680201        
2      0.7670500             -6.5531956        
end
ecp "Bi_LANL2DZ ECP"
Bi nelec 78
Bi ul
0    223.3091971             -0.1833520        
1     86.4699216            -53.3389492        
2     26.8492203           -201.9117841        
2      9.3823622            -76.3115295        
2      2.7614708            -24.2578468        
2      0.9423923             -4.0319700        
Bi S
0    155.9783914              2.7916510        
1     54.4591139             71.8553817        
2     20.1794558            252.4327444        
2      6.1273104             89.6045109        
2      1.1805983             61.1744136        
2      0.9932464            -33.0471906        
Bi P
0     74.5091386              4.8462914        
1     28.0487647             65.6883396        
2     12.0168508            166.2619673        
2      3.6914327             54.1393329        
2      0.9080824             28.6204880        
2      0.7394617            -12.3452204        
Bi D
0     68.0856679              3.2183832        
1     23.7250355             54.8952681        
2      9.2437053            116.5540708        
2      1.8452292             69.0760662        
2      1.2209859            -72.6410870        
2      0.8740861             38.9400055        
Bi F
0    134.3538983              3.9864075        
1     51.5812797             63.0262078        
2     54.9307284             92.5259959        
2     17.0475346            240.9973672        
2      3.7702824             62.1844577        
2      0.7670500             -1.7251134        
end
ecp "U_LANL2DZ ECP"
U nelec 78
U ul
0      4.5162725             -0.2252710        
1    368.6876952            -53.7805701        
2    112.7576708           -516.3052053        
2     30.2032915           -202.6738222        
2     10.2978355            -62.5644049        
2      3.4910515            -21.5589559        
2      1.2668391             -1.5390545        
U S
0    257.3529442              2.6118816        
1     83.1605428             81.2356657        
2     29.7200513            353.2465364        
2      6.2482132            311.9292234        
2      4.1634672           -423.5525795        
2      3.0001511            293.2160836        
2      1.5600000            -21.3442552        
2      0.8700000              1.6692548        
U P
0    288.7298250              1.8414388        
1     76.7838420             75.7054755        
2     24.8252003            288.4601674        
2      5.1248735            250.7289429        
2      3.7603300           -318.8968061        
2      2.9761706            160.0844924        
2      1.9919017             33.7801891        
2      0.9738832             -2.0699997        
U D
0    350.4699407              2.9082064        
1    166.7091301             74.3577628        
2     85.8206119            587.1140329        
2     26.9842255            317.2543679        
2      7.1565592            102.8422117        
2      1.2840855             22.4214278        
U F
0    251.2670754              3.9350339        
1    108.0109218             64.9434120        
2    114.8021895            265.1804776        
2     39.9112545            389.4284090        
2     11.9039784            153.4767221        
2      3.3850772             12.0807444        
2      1.2677607             -1.3510138        
end
ecp "Np_LANL2DZ ECP"
Np nelec 78
Np ul
0      1.0431273             -0.2301948        
1    317.0276068            -45.5001281        
2    105.9200340           -476.5653727        
2     29.2113328           -195.8477182        
2      9.9327688            -57.8033664        
2      3.5043448            -19.7434600        
2      1.2134041             -1.0669649        
Np S
0    196.0114236              2.6018728        
1     73.6959968             85.3028322        
2     27.9519076            372.5884385        
2      6.0935022            355.0393107        
2      4.2584097           -432.4088966        
2      2.8448358            302.4498093        
2      1.7818317            -66.3372789        
2      1.3126743             12.2063863        
Np P
0    217.8757476              1.8377632        
1     66.6524691             86.7559344        
2     22.5472363            326.3012014        
2      4.5144361            387.4745274        
2      3.4261582           -616.3588385        
2      2.7548460            367.0476211        
2      1.3259098             -9.1550781        
2      0.9946893              1.6218141        
Np D
0    250.4999784              2.9061609        
1    130.4032828             64.0478688        
2     75.7534615            474.2855599        
2     25.4552546            299.0115220        
2      6.9093550             97.8146796        
2      1.3686266             25.0346351        
Np F
0    283.1561694              3.9473741        
1    135.8585924             52.4962633        
2    146.7224456            488.6480804        
2     51.0645382            462.0665382        
2     15.2903208            194.5802503        
2      4.1160496             21.9961143        
2      1.5118960             -1.8379283        
end
ecp "Pu_LANL2DZ ECP"
Pu nelec 78
Pu ul
0      1.1870180             -0.2351718        
1    320.1179395            -45.4081287        
2    107.2740348           -476.8288295        
2     29.6307950           -197.0071237        
2      9.9804742            -56.9841048        
2      3.5674691            -19.1954418        
2      1.1899211             -0.9423357        
Pu S
0    158.8492184              2.5916624        
1     89.9329314             62.4462904        
2     36.8569318            385.9249706        
2      7.1893383            404.6175823        
2      4.8242287           -541.9641571        
2      3.0576352            383.4766370        
2      1.9204674            -95.8282398        
2      1.4002527             17.9027180        
Pu P
0    205.3583344              1.8340376        
1     73.8574796             64.7077751        
2     26.4937731            280.8660049        
2      4.9612440            385.3008049        
2      3.6464185           -769.1010536        
2      2.8852656            517.2637286        
2      1.6913216            -34.2942762        
2      1.1024245              2.9362540        
Pu D
0    236.9374680              2.9040916        
1    121.7063684             65.4380888        
2     70.3224181            435.7288038        
2     24.5731063            287.9883569        
2      6.7775423             96.3047822        
2      1.4529015             26.8450498        
Pu F
0    274.1162206              3.9474354        
1    131.2837669             52.9504481        
2    143.5982730            467.0766447        
2     49.6887665            454.3389567        
2     14.9990763            189.3942401        
2      4.2478349             21.1763500        
2      1.5745337             -1.8564639        
end
