# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# LANL2DZ ECP version number 0
# Description: LANL2DZ ECP
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  Na-Ar,Ga-Kr,In-Xe,Tl-Bi
#      LANL2DZ ECP
#          wadt1985a
# 
#  K-Cu,Rb-Ag,Cs-La,Hf-Au
#      LANL2DZ ECP
#          hay1985b
# 
#  Zn,Cd,Hg
#      LANL2DZ ECP
#          hay1985a
# 
#  U
#      LANL2DZ ECP
#          hay1983a
# 
#  Np,Pu
#      LANL2DZ ECP
#          ortiz1992a
# 
# 
# 
# hay1983a
#     Hay, P. Jeffrey
#     Ab initio studies of excited states of polyatomic molecules including
#             spin-orbit and multiplet effects: The electronic states of UF6
#     J. Chem. Phys. 79, 5469-5482 (1983)
#     10.1063/1.445665
# 
# hay1985a
#     Hay, P. Jeffrey, Wadt, Willard R.
#     Ab initio effective core potentials for molecular calculations.
#             Potentials for the transition metal atoms Sc to Hg
#     J. Chem. Phys. 82, 270-283 (1985)
#     10.1063/1.448799
# 
# hay1985b
#     Hay, P. Jeffrey, Wadt, Willard R.
#     Ab initio effective core potentials for molecular calculations.
#             Potentials for K to Au including the outermost core orbitals
#     J. Chem. Phys. 82, 299-310 (1985)
#     10.1063/1.448975
# 
# ortiz1992a
#     Ortiz, J. V., Hay, P. Jeffrey, Martin, Richard L.
#     Role of d and f orbitals in the geometries of low-valent actinide
#             compounds. Ab initio studies of U(CH3)3, Np(CH3)3, and
#             Pu(CH3)3
#     J. Am. Chem. Soc. 114, 2736-2737 (1992)
#     10.1021/ja00033a068
# 
# wadt1985a
#     Wadt, Willard R., Hay, P. Jeffrey
#     Ab initio effective core potentials for molecular calculations.
#             Potentials for main group elements Na to Bi
#     J. Chem. Phys. 82, 284-298 (1985)
#     10.1063/1.448800
# 
# # 


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 "Hg_LANL2DZ ECP"
Hg nelec 68
Hg ul
0     318.3460385             -0.1703372
1      95.6187191            -24.5189676
1      17.5652631            -28.2305328
2       8.6336796            -50.2160217
2       3.0025515            -13.8325534
2       1.1004827             -1.3977261
Hg S
0     180.0082018              2.7440421
1      60.9782063             68.8671343
2      22.9444668            246.8006073
2       6.8681457             97.7864206
2       1.3345231             26.5465894
Hg P
0     260.5481365              1.9446525
1      89.5728959             64.9315822
2      37.1461441            272.3521790
2      12.4960359            138.5794426
2       3.7833475             41.2158199
2       0.9041993             15.1712756
Hg D
0      72.0586232              3.1153493
1      53.8768738             44.5580217
2      19.6556989            230.2588307
2       3.4386734             98.5271156
2       2.7552072            -43.3718937
2       0.4923262             -0.3260880
Hg F
0      86.9008481              4.0027249
1      31.3844809             53.9600220
2      33.5683319             25.2756026
2      10.6046957            145.9184228
2       2.2121230             11.7637636
2       0.7670500             -0.6759736
end


ecp "Tl_LANL2DZ ECP"
Tl nelec 68
Tl ul
0     373.7910783             -0.1746222
1      99.0222044            -24.5858057
1      17.6844640            -28.5214719
2       8.6281221            -47.9977348
2       3.0353877            -13.1733337
2       1.1191950             -1.1972529
Tl S
0     169.8812365              2.7960747
1      58.2434958             74.9062731
2      21.7281484            264.3323823
2       6.6359251            102.3427683
2       1.4615973             30.3054582
Tl P
0     248.9438809              1.9719244
1      84.6601414             70.0368448
2      33.9674109            286.7645766
2      11.5239104            141.4003647
2       3.5354358             45.0490130
2       0.9512915             16.4655317
Tl D
0      86.2036829              3.0725115
1      76.0280558             43.1809603
2      26.2846764            302.7696484
2       3.3191097            116.3041971
2       2.7009368            -59.3066449
2       0.5492105             -0.2462594
Tl F
0     115.9461675              3.9888161
1      43.7443988             54.4481186
2      46.4937231             89.8756016
2      13.2848999            187.3744788
2       2.5347097             15.3552927
2       0.7670500             -0.6439303
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
