#  HAY/WADT (N-1) ECP  EMSL  Basis Set Exchange Library  3/15/13 10:19 AM
# Elements                             References
# --------                             ----------
# K - Au: P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
#         P. J. Hay (Private Communication).
#   


ecp "K_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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 "Rb_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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 "Cs_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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_HAY/WADT (N-1) 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
