/usr/share/nwchem/libraries/dzp-dkh is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr: F. E. Jorge, A. Canal Neto, G. G. Camiletti, and S. F. Machado, Contracted Gaussian basis sets for Douglas?Kroll?Hess calculations: Estimating scalar relativistic effects of some atomic and molecular properties, Journal of Chemical Physics 130, 064108 (2009).
# Cs Ba La Hf Ta W Re Os Ir Au Hg Tl Pb Bi Po At Rn: A. Canal Neto and F. E. Jorge, All-electron double zeta basis sets for the most fifth-row atoms: Application in DFT spectroscopic constant calculations, Chemical Physics Letters 582, 158 (2013).
# Pt: R. C. de Berrêdo, and F. E. Jorge, All-electron double zeta basis sets for platinum: Estimating scalar relativistic effects on platinum(II) anticancer drugs, Journal of Molecular Structure: THEOCHEM 961, 107 (2010).
# Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe: C. L. Barros, P. J. P. de Oliveira, F. E. Jorge, A. Canal Neto, and M. Campos, Gaussian basis set of double zeta quality for atoms Rb through Xe: application in non-relativistic and relativistic calculations of atomic and molecular properties Gaussian basis set of double zeta quality for atoms Rb through Xe: application in non-relativistic and relativistic calculations of atomic and molecular properties, Molecular Physics 108, 1965 (2010).
#
basis "H_DZP-DKH" SPHERICAL
H S
12.98511484 0.0305015
1.95908134 0.2062392
0.44403649 0.7632592
H S
0.11282695 1.0000000
H P
0.80305095 1.0000000
end
basis "He_DZP-DKH" SPHERICAL
He S
38.3848392 0.0367410
5.77259177 0.2385330
1.24052238 0.7247259
He S
0.2971651 1.0000000
He P
1.3643371 1.0000000
end
basis "Li_DZP-DKH" SPHERICAL
Li S
1467.55426442 0.0008507
219.90959664 0.0063444
48.31061694 0.0341800
12.88488293 0.1343735
3.93833592 0.3436929
1.34077556 0.4805583
Li S
0.49506113 1.0000000
Li S
0.07748193 1.0000000
Li S
0.02917883 1.0000000
Li P
3.24722245 0.0109197
0.64804185 0.0600076
0.16900956 0.2645257
0.0556318 0.6645469
Li P
0.02046171 1.0000000
Li D
0.09489967 1.0000000
end
basis "Be_DZP-DKH" SPHERICAL
Be S
2155.37917119 0.0019333
320.28940827 0.0141980
71.05837415 0.0735970
19.48182345 0.2717060
6.17741048 0.6385655
Be S
2.20597092 0.7492868
0.86172687 0.2814012
Be S
0.17377808 1.0000000
Be S
0.06285384 1.0000000
Be P
7.33478268 0.0129164
1.55456555 0.0751779
0.43041802 0.2950056
0.1430149 0.6169000
Be P
0.05065485 1.0000000
Be D
0.18014085 1.0000000
end
basis "B_DZP-DKH" SPHERICAL
B S
3361.97459803 0.0020592
514.78214513 0.0139994
116.96106791 0.0709334
32.34846054 0.2652018
10.25182884 0.6478059
B S
3.65314741 0.7248319
1.43768047 0.2751680
B S
0.33137807 1.0000000
B S
0.10568808 1.0000000
B P
12.21701756 0.0149932
2.64732563 0.0909351
0.75597293 0.3211408
0.24111637 0.5729308
B P
0.08058449 1.0000000
B D
0.39184349 1.0000000
end
basis "C_DZP-DKH" SPHERICAL
C S
4949.46032594 0.0021254
758.82582124 0.0138797
172.62336223 0.0699682
47.77742113 0.2630053
15.15140603 0.6510212
C S
5.39400345 0.7300080
2.11083628 0.2699919
C S
0.52460137 1.0000000
C S
0.15964728 1.0000000
C P
18.97219923 0.0156205
4.18721595 0.0966388
1.21388239 0.3264242
0.38698643 0.5613164
C P
0.12406489 1.0000000
C D
0.61467289 1.0000000
end
basis "N_DZP-DKH" SPHERICAL
N S
6711.76398035 0.0022301
1029.56088507 0.0140080
234.62552896 0.0699756
65.08616322 0.2624838
20.68134371 0.6513023
N S
7.3594862 0.7394324
2.86133058 0.2605675
N S
0.75772555 1.0000000
N S
0.22278085 1.0000000
N P
26.9531290 0.0161302
6.01777874 0.1007562
1.7606264 0.3305209
0.56064983 0.5525926
N P
0.17525619 1.0000000
N D
0.89591019 1.0000000
end
basis "O_DZP-DKH" SPHERICAL
O S
8897.19445619 0.0023229
1365.2653881 0.0140091
311.21828724 0.0694697
86.33353862 0.2611441
27.42841118 0.6530540
O S
9.74740298 0.7418317
3.7710995 0.2581682
O S
1.04455407 1.0000000
O S
0.30382295 1.0000000
O P
34.75998468 0.0172481
7.80757529 0.1079455
2.29096903 0.3383584
0.71677956 0.5364479
O P
0.21323853 1.0000000
O D
1.25011953 1.0000000
end
basis "F_DZP-DKH" SPHERICAL
F S
11245.07427445 0.0024422
1726.97986029 0.0141658
394.23268791 0.0695007
109.5121736 0.2606839
34.82122553 0.6532071
F S
12.36386969 0.7469076
4.75744942 0.2530923
F S
1.37400143 1.0000000
F S
0.39513873 1.0000000
F P
43.98233925 0.0180879
9.94469246 0.1127789
2.93406079 0.3425222
0.91404725 0.5266109
F P
0.26664491 1.0000000
F D
1.68949991 1.0000000
end
basis "Ne_DZP-DKH" SPHERICAL
Ne S
13940.69029299 0.0025594
2140.70795406 0.0143051
488.75826908 0.0694760
135.80780025 0.2602219
43.19262691 0.6534375
Ne S
15.32362673 0.7500146
5.86934944 0.2499853
Ne S
1.74282774 1.0000000
Ne S
0.49603479 1.0000000
Ne P
54.67816613 0.0186084
12.4266038 0.1157785
3.67954925 0.3449401
1.14375027 0.5206729
Ne P
0.32941012 1.0000000
Ne D
2.22806812 1.0000000
end
basis "Na_DZP-DKH" SPHERICAL
Na S
16553.56559413 0.0038050
2940.47406221 0.0169347
767.36004763 0.0653013
251.77588539 0.2186535
82.04765196 0.6953053
Na S
2.8387095 0.3465855
1.07750033 0.6534144
Na S
27.62077565 1.0000000
Na S
10.11667327 1.0000000
Na S
0.39112996 1.0000000
Na S
0.11728961 1.0000000
Na S
0.03434895 1.0000000
Na P
167.60332052 0.0035311
40.45539463 0.0238380
13.02408063 0.0969902
4.57131084 0.2546959
1.60351806 0.3735144
0.56247983 0.2474302
Na P
0.19730589 1.0000000
Na P
0.06921069 1.0000000
Na P
0.02427763 1.0000000
Na D
0.0654538 1.0000000
end
basis "Mg_DZP-DKH" SPHERICAL
Mg S
29634.0384971 0.0029311
4504.26738086 0.0144281
1038.91119479 0.0656475
297.1429418 0.2430316
97.64415398 0.6739615
Mg S
1.64696724 0.6537499
0.67317558 0.3462500
Mg S
35.42090950 1.0000000
Mg S
13.59888828 1.0000000
Mg S
3.91380244 1.0000000
Mg S
0.10033811 1.0000000
Mg S
0.04064399 1.0000000
Mg P
290.98023692 0.0022489
67.06269532 0.0177124
20.5670113 0.0815748
7.3076341 0.2257669
2.78482554 0.3597646
1.10006315 0.3129322
Mg P
0.44134987 1.0000000
Mg P
0.12742513 1.0000000
Mg P
0.04092091 1.0000000
Mg D
0.10301691 1.0000000
end
basis "Al_DZP-DKH" SPHERICAL
Al S
46957.58327979 0.0029538
7131.42935571 0.0133893
1639.24405227 0.0592091
461.98153874 0.2279726
147.56803267 0.6964749
Al S
2.65572629 0.5613403
1.0279427 0.4386596
Al S
51.68864162 1.0000000
Al S
19.3185704 1.0000000
Al S
6.48439779 1.0000000
Al S
0.15930849 1.0000000
Al S
0.06434819 1.0000000
Al P
371.91997268 0.0021090
86.61876761 0.0163603
26.95939792 0.0755811
9.7190181 0.2157074
3.76228615 0.3617888
1.50816965 0.3284530
Al P
0.60713936 1.0000000
Al P
0.19343206 1.0000000
Al P
0.05818341 1.0000000
Al D
0.20240321 1.0000000
end
basis "Si_DZP-DKH" SPHERICAL
Si S
57033.21769392 0.0033142
8843.88412077 0.0140219
2088.57468603 0.0585035
598.4360825 0.2229255
191.07432559 0.7012346
Si S
3.47202417 0.5357668
1.33983034 0.4642331
Si S
66.41276014 1.0000000
Si S
24.78817669 1.0000000
Si S
9.06048206 1.0000000
Si S
0.22611668 1.0000000
Si S
0.09013222 1.0000000
Si P
597.87121497 0.0013945
140.08844965 0.0109132
43.72342316 0.0542026
15.68022991 0.1778566
6.05325924 0.3564630
2.40938438 0.3991697
Si P
0.97018332 1.0000000
Si P
0.28836719 1.0000000
Si P
0.08685517 1.0000000
Si D
0.28065207 1.0000000
end
basis "P_DZP-DKH" SPHERICAL
P S
77974.00242233 0.0034122
12089.93860872 0.0137430
2831.85299912 0.0561942
797.63499030 0.2182803
250.54065009 0.7083701
P S
4.43394852 0.5058959
1.70489853 0.4941040
P S
86.36613722 1.0000000
P S
32.43586281 1.0000000
P S
12.80997230 1.0000000
P S
0.29955004 1.0000000
P S
0.11847108 1.0000000
P P
698.58617725 0.0014015
164.42668315 0.0107930
51.58304203 0.0535873
18.54027938 0.1774958
7.14211567 0.3609388
2.8306961 0.3957832
P P
1.13094785 1.0000000
P P
0.37464227 1.0000000
P P
0.11564729 1.0000000
P D
0.37291129 1.0000000
end
basis "S_DZP-DKH" SPHERICAL
S S
88298.52965731 0.0037231
13783.75049251 0.0144966
3273.99080251 0.0569731
933.93904998 0.2171714
294.47682844 0.7076356
S S
5.19930244 0.5076446
2.03425969 0.4923553
S S
101.30556573 1.0000000
S S
37.95800089 1.0000000
S S
15.05040359 1.0000000
S S
0.3877228 1.0000000
S S
0.15157298 1.0000000
S P
759.75242296 0.0015116
180.00565026 0.0113965
56.73558346 0.0560869
20.36270362 0.1849910
7.76216777 0.3713178
3.02062956 0.3746960
S P
1.11706212 1.0000000
S P
0.41415858 1.0000000
S P
0.12911675 1.0000000
S D
0.47158905 1.0000000
end
basis "Cl_DZP-DKH" SPHERICAL
Cl S
123346.03036366 0.0036765
18844.37101427 0.0141306
4312.76103972 0.0560856
1191.77811092 0.2163092
371.56406092 0.7097979
Cl S
48.83240417 0.7060529
19.99833925 0.2939470
Cl S
128.42562800 1.0000000
Cl S
6.35517331 1.0000000
Cl S
2.48786095 1.0000000
Cl S
0.56465027 1.0000000
Cl S
0.20202039 1.0000000
Cl P
815.2596751 0.0016758
191.38682651 0.0127597
59.88017268 0.0625648
21.46131474 0.2003177
8.1942300 0.3810675
3.20715125 0.3416142
Cl P
1.10810134 1.0000000
Cl P
0.4232917 1.0000000
Cl P
0.13969455 1.0000000
Cl D
0.58736175 1.0000000
end
basis "Ar_DZP-DKH" SPHERICAL
Ar S
138627.59405679 0.0039027
21212.2189319 0.0146910
4867.08226473 0.0570486
1348.69501423 0.2169018
421.63085976 0.7074557
Ar S
55.71724761 0.6993915
22.88371461 0.3006084
Ar S
146.12790137 1.0000000
Ar S
7.31344988 1.0000000
Ar S
2.89776121 1.0000000
Ar S
0.68299546 1.0000000
Ar S
0.24193412 1.0000000
Ar P
942.67742464 0.0016663
219.63986953 0.0127732
68.42876014 0.0630314
24.55728205 0.2018355
9.43530598 0.3829579
3.73443328 0.3377354
Ar P
1.30151971 1.0000000
Ar P
0.49356584 1.0000000
Ar P
0.16428157 1.0000000
Ar D
0.71707157 1.0000000
end
basis "K_DZP-DKH" SPHERICAL
K S
354250.51554442 0.0016627
53854.37640452 0.0056056
12361.19110871 0.0193081
3445.95204884 0.0677840
1075.55466155 0.2317081
366.57318135 0.6739311
K S
53.90620772 -0.7486980
22.59813682 -0.2513019
K S
0.82054226 0.5141450
0.31988212 0.4858549
K S
135.48092087 1.0000000
K S
8.09786395 1.0000000
K S
3.30498804 1.0000000
K S
0.03541744 1.0000000
K S
0.01646326 1.0000000
K P
1946.44474784 0.0017375
452.89552783 0.0129344
141.6424159 0.0687607
51.27822241 0.2604094
20.33849456 0.6561580
K P
8.46124031 0.5906966
3.6236219 0.4093033
K P
0.54002461 0.6837690
0.20222716 0.3162309
K P
4.07492726 1.0000000
K P
1.37014733 1.0000000
K P
0.04471633 1.0000000
K D
0.06287033 1.0000000
end
basis "Ca_DZP-DKH" SPHERICAL
Ca S
342873.48752706 0.0017090
51476.52750581 0.0058614
11677.47597575 0.0203949
3249.0785960 0.0714859
1023.59401338 0.2363043
353.94550955 0.6642443
Ca S
132.58158776 0.4876099
53.05210998 0.5123900
Ca S
1.0075480 -0.4904541
0.4137819 -0.5095458
Ca S
21.64836098 1.0000000
Ca S
8.67787856 1.0000000
Ca S
3.66171887 1.0000000
Ca S
0.06314221 1.0000000
Ca S
0.03464264 1.0000000
Ca P
2005.15067761 0.0007566
476.97128318 0.0052806
154.07909113 0.0263887
57.6177515 0.0953810
23.4155108 0.2390640
9.90679919 0.3715640
4.29506216 0.2615648
Ca P
1.66830198 1.0000000
Ca P
0.67645751 1.0000000
Ca P
0.30054753 1.0000000
Ca P
0.11678902 1.0000000
Ca P
0.0521960 1.0000000
Ca D
0.1020280 1.0000000
end
basis "Sc_DZP-DKH" SPHERICAL
Sc S
348385.79779449 0.0019417
53583.94703134 0.0063733
12685.05430358 0.0208850
3673.88065898 0.0695502
1172.4891803 0.2325910
400.60028978 0.6686584
Sc S
9.39283333 0.5213931
4.02702612 0.4786068
Sc S
1.16226225 -0.4813564
0.4751614 -0.5186435
Sc S
146.88113814 1.0000000
Sc S
57.46823922 1.0000000
Sc S
22.42495234 1.0000000
Sc S
0.0733227 1.0000000
Sc S
0.03921343 1.0000000
Sc P
1883.80437677 0.0062245
448.06013767 0.0435336
144.48948326 0.2135109
54.13051204 0.7367309
Sc P
22.17183477 0.4234828
9.5579458 0.5765171
Sc P
1.74066243 0.0000030
0.71936088 0.7362238
0.28209021 0.2637730
Sc P
4.26468621 1.0000000
Sc P
1.7415200 1.0000000
Sc P
0.0844900 1.0000000
Sc D
18.63714134 0.0279182
4.95612503 0.1406040
1.60515624 0.3470067
0.52498413 0.4844709
Sc D
0.1538763 1.0000000
Sc F
0.2943800 1.0000000
end
basis "Ti_DZP-DKH" SPHERICAL
Ti S
385301.69222246 0.0020381
59323.92771892 0.0066003
14064.84349879 0.0212953
4078.78819893 0.0698885
1301.34456649 0.2323136
444.0283981 0.6678638
Ti S
10.45013887 0.5249517
4.50423795 0.4750482
Ti S
1.32354166 -0.4894263
0.5377499 -0.5105736
Ti S
162.58867802 1.0000000
Ti S
63.56739958 1.0000000
Ti S
24.82100087 1.0000000
Ti S
0.08137562 1.0000000
Ti S
0.04115116 1.0000000
Ti P
2559.05926884 0.0007604
610.20486959 0.0051096
196.91625188 0.0256726
73.26951196 0.0947175
29.64909197 0.2415604
12.56236395 0.3769261
5.4875197 0.2552531
Ti P
3.1047353 1.0000000
Ti P
2.16766734 1.0000000
Ti P
0.88630992 1.0000000
Ti P
0.34224764 1.0000000
Ti P
0.08559594 1.0000000
Ti D
23.31288302 0.0264838
6.28634039 0.1372048
2.05836409 0.3500023
0.68233509 0.4863089
Ti D
0.20474386 1.0000000
Ti F
0.5744190 1.0000000
end
basis "V_DZP-DKH" SPHERICAL
V S
300243.5282168 0.0021369
45865.36098526 0.0071723
10717.01930773 0.0241312
3097.70895578 0.0795704
1013.27602577 0.2480509
360.63861931 0.6389380
V S
8.12492165 0.7078754
3.78649374 0.2921245
V S
1.38924563 -0.5751649
0.56410864 -0.4248350
V S
137.43640138 1.0000000
V S
54.75078905 1.0000000
V S
17.23458694 1.0000000
V S
0.09015635 1.0000000
V S
0.04389994 1.0000000
V P
2305.79869609 0.0064858
549.29504282 0.0438268
177.64297522 0.2138278
66.76800057 0.7358593
V P
27.44610493 0.4267984
11.89730461 0.5732015
V P
2.2151851 0.4299665
0.92000779 0.4312058
0.36090735 0.1388275
V P
5.3427376 1.0000000
V P
2.0287000 1.0000000
V P
0.1056510 1.0000000
V D
27.21846737 0.0265649
7.41444401 0.1387599
2.45041106 0.3528752
0.82085251 0.4817998
V D
0.24846171 1.0000000
V F
0.85941251 1.0000000
end
basis "Cr_DZP-DKH" SPHERICAL
Cr S
295305.79172778 0.0024458
45679.13454205 0.0080320
10927.77119576 0.0260534
3260.3423877 0.0819592
1096.27407065 0.2479509
396.52413555 0.6335584
Cr S
9.21553258 0.6964035
4.28774028 0.3035964
Cr S
1.53482137 0.5863670
0.60335602 0.4136329
Cr S
152.09728223 1.0000000
Cr S
60.69377179 1.0000000
Cr S
19.41838279 1.0000000
Cr S
0.08677936 1.0000000
Cr S
0.03934524 1.0000000
Cr P
2391.08612048 0.0066538
569.41244296 0.0446559
184.0208108 0.2159450
69.20892323 0.7327452
Cr P
28.47161846 0.4392797
12.37007797 0.5607202
Cr P
2.32929193 0.5215330
0.96054612 0.3663361
0.37038137 0.1121308
Cr P
5.56401765 1.0000000
Cr P
2.2406260 1.0000000
Cr P
0.1991350 1.0000000
Cr D
27.28337622 0.0301599
7.39588097 0.1523059
2.41167687 0.3586872
0.77550288 0.4588469
Cr D
0.21510596 1.0000000
Cr F
1.1958954 1.0000000
end
basis "Mn_DZP-DKH" SPHERICAL
Mn S
324800.75972747 0.0022908
49815.77801891 0.0075871
11669.72288637 0.0250168
3372.90759039 0.0814944
1100.30092567 0.2510865
390.38958292 0.6325242
Mn S
148.51623731 -0.5872202
59.3163868 -0.4127797
Mn S
2.6848903 -0.2064186
1.27646153 -0.7935813
Mn S
18.33765831 1.0000000
Mn S
7.87765112 1.0000000
Mn S
0.53598316 1.0000000
Mn S
0.09996169 1.0000000
Mn S
0.03776661 1.0000000
Mn P
3112.74202007 0.0012277
760.26549001 0.0074390
254.98860271 0.0348476
96.96252067 0.1266179
39.54225349 0.3260533
16.82306604 0.5038144
Mn P
1.21456621 0.7053106
0.47261267 0.2946893
Mn P
7.39740537 1.0000000
Mn P
2.96572506 1.0000000
Mn P
0.26500334 1.0000000
Mn P
0.09488727 1.0000000
Mn D
30.74444238 0.0132712
8.21420598 0.2117260
2.84217461 0.4207303
1.31838075 0.3542722
Mn D
0.50595015 1.0000000
Mn F
0.28451417 1.0000000
end
basis "Fe_DZP-DKH" SPHERICAL
Fe S
461969.33436343 0.0024684
71367.29880371 0.0077518
16995.41790911 0.0241086
4979.71605444 0.0750806
1614.97097122 0.2368588
558.95466347 0.6537316
Fe S
12.96164017 0.6174545
5.91093416 0.3825454
Fe S
1.96904431 -0.5538596
0.7820924 -0.4461403
Fe S
206.05345244 1.0000000
Fe S
79.99111049 1.0000000
Fe S
27.14149817 1.0000000
Fe S
0.11237496 1.0000000
Fe S
0.05064156 1.0000000
Fe P
3196.09469313 0.0066581
759.98366038 0.0429109
244.90627978 0.2106954
91.6279479 0.7397354
Fe P
37.53954608 0.4237631
16.27048292 0.5762368
Fe P
3.05279952 0.4193043
1.26717782 0.4412743
0.49472366 0.1394212
Fe P
7.31677823 1.0000000
Fe P
2.6875400 1.0000000
Fe P
0.1355900 1.0000000
Fe D
38.42700436 0.0278226
10.64378208 0.1464908
3.55993588 0.3602281
1.19429286 0.4654583
Fe D
0.35558573 1.0000000
Fe F
1.81278863 1.0000000
end
basis "Co_DZP-DKH" SPHERICAL
Co S
448380.14006766 0.0027736
69769.92223548 0.0086454
16844.17376055 0.0260485
5083.02833312 0.0781745
1712.78359629 0.2305937
604.73519235 0.6537640
Co S
24.66582741 0.2678466
11.06275352 0.7321533
Co S
1.6965260 -0.7806867
0.68193543 -0.2193132
Co S
221.13353432 1.0000000
Co S
83.54464808 1.0000000
Co S
4.45475532 1.0000000
Co S
0.31047897 1.0000000
Co S
0.09113816 1.0000000
Co P
2828.45930124 0.0092075
712.48572115 0.0513007
252.59084804 0.2132798
100.02717572 0.7262118
Co P
41.13209676 0.4088234
16.99657041 0.5911765
Co P
2.48622373 0.6807771
1.31214794 -0.1468936
1.0043108 0.1723291
Co P
7.10134495 1.0000000
Co P
0.64860598 1.0000000
Co P
0.1777710 1.0000000
Co D
42.58404959 0.0280991
11.8281787 0.1484279
3.96375702 0.3620542
1.32459918 0.4614186
Co D
0.39003636 1.0000000
Co F
2.01884004 1.0000000
end
basis "Ni_DZP-DKH" SPHERICAL
Ni S
278445.52629893 0.0031608
43814.51496986 0.0100528
10779.72874652 0.0310457
3349.70776777 0.0908266
1165.8551803 0.2583936
432.73087195 0.6065201
Ni S
169.00438146 -0.6209256
68.86085546 -0.3790743
Ni S
1.37165661 -0.8038964
0.59655144 -0.1961035
Ni S
22.22360487 1.0000000
Ni S
9.4883189 1.0000000
Ni S
2.9643469 1.0000000
Ni S
0.1072239 1.0000000
Ni S
0.03626922 1.0000000
Ni P
3260.65467335 0.0083943
803.70337636 0.0483940
275.18580532 0.2131707
106.71205448 0.7300409
Ni P
43.92347484 0.4256278
18.83048854 0.5743721
Ni P
3.55118605 0.4168955
1.47719646 0.4492610
0.57755008 0.1338433
Ni P
8.36725652 1.0000000
Ni P
2.89625879 1.0000000
Ni P
0.15816057 1.0000000
Ni D
46.31330852 0.0291393
12.96343937 0.1520535
4.3928259 0.3614113
1.48994649 0.4573957
Ni D
0.44101185 1.0000000
Ni F
2.52918191 1.0000000
end
basis "Cu_DZP-DKH" SPHERICAL
Cu S
313264.6119074 0.0213057
48393.25759622 0.0691267
11479.79228103 0.2214256
3384.61235923 0.6881418
Cu S
1137.39282708 0.3076302
420.02333059 0.6923697
Cu S
168.05814116 -0.6283913
71.30338905 -0.3716086
Cu S
23.99018809 0.4179216
10.50131154 0.5820783
Cu S
1.80862431 -0.7627821
0.75612558 -0.2372178
Cu S
3.8198126 1.0000000
Cu S
0.10764031 1.0000000
Cu S
0.04158824 1.0000000
Cu P
3873.61970711 0.0070717
920.27679219 0.0439049
296.24894498 0.2123032
110.87219054 0.7367200
Cu P
45.50466094 0.4364703
19.80898271 0.5635296
Cu P
3.78063332 0.4637392
1.56185032 0.4139766
0.59880914 0.1222840
Cu P
8.93265073 1.0000000
Cu P
3.4835000 1.0000000
Cu P
0.2951600 1.0000000
Cu D
47.14549465 0.0312064
13.10955824 0.1604277
4.35166717 0.3654101
1.4074933 0.4429556
Cu D
0.37796216 1.0000000
Cu F
2.64507327 1.0000000
end
basis "Zn_DZP-DKH" SPHERICAL
Zn S
373543.86255941 0.0027349
56727.57997819 0.0089052
13081.12588764 0.0292345
3727.98735975 0.0923461
1216.59937055 0.2694773
440.73888329 0.5973018
Zn S
174.73329022 -0.6563388
74.15647022 -0.3436611
Zn S
1.84961148 -0.7280525
0.81427863 -0.2719474
Zn S
25.38969133 1.0000000
Zn S
11.07141354 1.0000000
Zn S
3.82890916 1.0000000
Zn S
0.15111613 1.0000000
Zn S
0.05589292 1.0000000
Zn P
4527.80074425 0.0082211
1099.50095028 0.0461656
366.25802877 0.2163131
141.17061157 0.7293000
Zn P
58.80659616 0.4104395
25.59664299 0.5895604
Zn P
4.68101497 0.3573348
1.92238841 0.4710830
0.73612619 0.1715820
Zn P
11.45429373 1.0000000
Zn P
0.2143200 1.0000000
Zn P
0.0551800 1.0000000
Zn D
55.87645811 0.0288963
15.69118013 0.1530305
5.2910676 0.3646647
1.7671959 0.4534083
Zn D
0.51172438 1.0000000
Zn F
3.13654236 1.0000000
end
basis "Ga_DZP-DKH" SPHERICAL
Ga S
910353.71566745 0.0028521
137852.17230261 0.0087047
31689.11897479 0.0262718
8933.43848474 0.0786229
2835.20534705 0.2374181
981.49047826 0.6461301
Ga S
147.90538165 -0.7547239
62.90174922 -0.2452760
Ga S
3.22249134 -0.5168190
1.29005447 -0.4831809
Ga S
367.46489995 1.0000000
Ga S
24.44683429 1.0000000
Ga S
10.56759677 1.0000000
Ga S
0.19323696 1.0000000
Ga S
0.08052745 1.0000000
Ga P
5119.9901772 0.0023866
1199.59676171 0.0144368
378.55809198 0.0727302
138.6311328 0.2637794
55.82951628 0.6466667
Ga P
4.52204516 0.4016718
1.90947137 0.4604511
0.78773269 0.1378769
Ga P
23.94723873 1.0000000
Ga P
10.69231825 1.0000000
Ga P
0.3682581 1.0000000
Ga P
0.08694155 1.0000000
Ga D
62.59260023 0.0286847
17.74323225 0.1523348
6.07340934 0.3655624
2.08773021 0.4534179
Ga D
0.64478621 1.0000000
Ga F
3.6411400 1.0000000
end
basis "Ge_DZP-DKH" SPHERICAL
Ge S
983203.98198795 0.0029586
148884.75624252 0.0089663
34226.12267124 0.0268304
9643.77118891 0.0794679
3059.33370497 0.2378306
1059.26353125 0.6439458
Ge S
160.07845255 -0.7481751
68.36825261 -0.2518248
Ge S
3.55246244 -0.5026154
1.45386316 -0.4973845
Ge S
396.96955591 1.0000000
Ge S
26.44973557 1.0000000
Ge S
11.45822952 1.0000000
Ge S
0.24542733 1.0000000
Ge S
0.1042528 1.0000000
Ge P
5620.18196367 0.0024336
1320.14433527 0.0143286
417.8318047 0.0717078
153.2691709 0.2607787
61.75605884 0.6507512
Ge P
4.96267131 0.4054344
2.09154137 0.4651328
0.86464919 0.1294327
Ge P
26.48177927 1.0000000
Ge P
11.82280693 1.0000000
Ge P
0.37667865 1.0000000
Ge P
0.10335204 1.0000000
Ge D
71.65615359 0.0272444
20.44466131 0.1477064
7.06830748 0.3646322
2.4783720 0.4604168
Ge D
0.7954723 1.0000000
Ge F
4.2249999 1.0000000
end
basis "As_DZP-DKH" SPHERICAL
As S
1029997.20547216 0.0031757
156438.88003412 0.0094708
36755.77538087 0.0273998
10502.1169947 0.0799032
3349.89175211 0.2368137
1158.44597084 0.6432364
As S
173.9347473 -0.7406870
74.36392944 -0.2593129
As S
3.88935992 -0.4929426
1.62509534 -0.5070573
As S
432.4845362 1.0000000
As S
28.51231096 1.0000000
As S
12.37029703 1.0000000
As S
0.30041106 1.0000000
As S
0.12797089 1.0000000
As P
6124.05008032 0.0024929
1440.86559375 0.0143287
457.19417962 0.0711403
168.09304172 0.2585864
67.84567362 0.6534516
As P
5.42841765 0.4090160
2.28268099 0.4710004
0.93339038 0.1199835
As P
29.12154463 1.0000000
As P
13.00608164 1.0000000
As P
0.43346024 1.0000000
As P
0.12651886 1.0000000
As D
81.15476975 0.0260018
23.27490232 0.1438198
8.10185523 0.3638918
2.88525653 0.4662865
As D
0.95168913 1.0000000
As F
4.82609999 1.0000000
end
basis "Se_DZP-DKH" SPHERICAL
Se S
1049998.04204542 0.0034372
161630.79841489 0.0099820
38887.49430728 0.0280848
11268.77322584 0.0806865
3616.55267796 0.2366259
1252.21939988 0.6411834
Se S
187.83397379 -0.7344165
80.44824572 -0.2655834
Se S
4.23990611 0.4853642
1.80536551 0.5146357
Se S
467.21308647 1.0000000
Se S
30.65255819 1.0000000
Se S
13.32551602 1.0000000
Se S
0.35952929 1.0000000
Se S
0.15226684 1.0000000
Se P
6795.42739846 0.0025319
1603.35232898 0.0141092
510.45029628 0.0695293
187.96529793 0.2541179
75.79015355 0.6597114
Se P
5.91418189 0.4163672
2.45386524 0.4772054
0.95515833 0.1064272
Se P
32.42275018 1.0000000
Se P
14.41823039 1.0000000
Se P
0.49942204 1.0000000
Se P
0.14386045 1.0000000
Se D
91.11974114 0.0249778
26.24594492 0.1402760
9.20573794 0.3625175
3.32069345 0.4722286
Se D
1.1188873 1.0000000
Se F
5.44729999 1.0000000
end
basis "Br_DZP-DKH" SPHERICAL
Br S
1051997.6346165 0.0034949
160557.00375084 0.0102219
38450.98592697 0.0287052
11148.85226025 0.0819499
3587.74099199 0.2382526
1245.06968323 0.6373753
Br S
186.63699074 0.7678281
78.96784246 0.2321718
Br S
4.56722273 0.4866736
1.97688079 0.5133263
Br S
465.06497818 1.0000000
Br S
31.76088542 1.0000000
Br S
13.94753429 1.0000000
Br S
0.42262863 1.0000000
Br S
0.17741713 1.0000000
Br P
6378.0405112 0.0025895
1492.18000867 0.0149634
467.96186092 0.0742188
170.05324693 0.2692805
68.05309742 0.6389476
Br P
5.48298454 -0.4859414
2.30791553 -0.4385329
0.81091536 -0.0755255
Br P
29.07098077 1.0000000
Br P
12.82538078 1.0000000
Br P
0.5611737 1.0000000
Br P
0.16242487 1.0000000
Br D
107.39232903 0.0221190
30.97428393 0.1300352
10.87211425 0.3573003
3.94049349 0.4905453
Br D
1.33800926 1.0000000
Br F
6.14739999 1.0000000
end
basis "Kr_DZP-DKH" SPHERICAL
Kr S
1088999.64660512 0.0039084
171334.63717017 0.0108489
42719.50564953 0.0294105
12563.3679808 0.0829259
4067.28823097 0.2377252
1414.77675441 0.6351807
Kr S
214.10770322 -0.7279653
92.22255109 -0.2720346
Kr S
4.99624235 0.4732577
2.19789239 0.5267422
Kr S
530.17308767 1.0000000
Kr S
35.09824557 1.0000000
Kr S
15.33192352 1.0000000
Kr S
0.48721585 1.0000000
Kr S
0.20388527 1.0000000
Kr P
7502.57287634 0.0013837
1765.11352791 0.0076092
560.41896165 0.0367691
206.18913192 0.1346603
83.21283239 0.3392312
35.67589014 0.4803461
Kr P
2.74653294 -0.8204112
0.9826322 -0.1795887
Kr P
15.89079763 1.0000000
Kr P
6.58243178 1.0000000
Kr P
0.60298415 1.0000000
Kr P
0.17789351 1.0000000
Kr D
112.32378219 0.0233247
32.5753767 0.1347000
11.54346822 0.3605640
4.24777292 0.4814112
Kr D
1.47526792 1.0000000
Kr F
6.8850900 1.0000000
end
basis "Rb_DZP-DKH" SPHERICAL
Rb S
1859845.62249653 0.0017544
399767.33236293 0.0029902
129981.60190099 0.0072388
43888.81234515 0.0160614
16948.64772502 0.0348190
6745.99144379 0.0886842
2522.1394260 0.2484257
945.94756233 0.6000260
Rb S
369.80598607 -0.5459730
149.61856848 -0.4540269
Rb S
23.0840127 0.7932343
10.43332922 0.2067656
Rb S
4.07341931 0.7554109
1.70482127 0.2445890
Rb S
0.61211073 0.5354421
0.2303685 0.4645578
Rb S
48.97818738 1.0000000
Rb S
0.03343568 1.0000000
Rb S
0.01645421 1.0000000
Rb P
10099.59691782 0.0009313
2546.23067176 0.0041422
925.06517275 0.0143568
397.88271556 0.0490951
165.84753682 0.1612123
70.35232805 0.3560386
30.97285152 0.4142233
Rb P
6.05296461 -0.5336350
2.64070479 -0.4663649
Rb P
0.94994393 0.2645714
0.42776265 0.4670510
0.17378916 0.2683774
Rb P
13.76306510 1.0000000
Rb P
0.0279673 1.0000000
Rb P
0.0116646 1.0000000
Rb D
131.46467706 0.0161821
38.1573394 0.0977771
13.5180840 0.2777358
4.98610435 0.3934092
1.74825724 0.2148956
Rb D
0.3776200 1.0000000
end
basis "Sr_DZP-DKH" SPHERICAL
Sr S
2202166.80600496 0.0017168
448780.72606811 0.0033932
140032.81276699 0.0071864
50340.79398131 0.0153061
19098.16420792 0.0367973
7332.10944148 0.0907276
2758.82083157 0.2474101
1042.56515337 0.5974621
Sr S
407.84843708 -0.5329759
164.08625052 -0.4670240
Sr S
25.69930424 -0.7734371
10.89346673 -0.2265628
Sr S
4.74641549 -0.6993818
1.8619092 -0.3006181
Sr S
1.13394619 0.0000146
0.26412427 0.9999853
Sr S
54.65664999 1.0000000
Sr S
0.54067548 1.0000000
Sr S
0.03752852 1.0000000
Sr P
11898.71582922 0.0008765
2945.67627303 0.0037081
1071.35493445 0.0135627
437.31547128 0.0494034
181.31852092 0.1578142
77.31494654 0.3534537
34.33125646 0.4211811
Sr P
6.78187489 -0.5166010
2.99708547 -0.4833989
Sr P
1.16524126 0.2449824
0.50869254 0.5303145
0.20199715 0.2247030
Sr P
15.52810758 1.0000000
Sr P
0.0211686 1.0000000
Sr P
0.0446713 1.0000000
Sr D
142.00731665 0.0161916
41.21237723 0.0982468
14.6674962 0.2794286
5.47304102 0.3913618
1.95812282 0.2147710
Sr D
0.3689100 1.0000000
end
basis "Y_DZP-DKH" SPHERICAL
Y S
2522141.32102006 0.0016990
449156.29990432 0.0036724
151720.1764528 0.0066311
51855.44354044 0.0167936
18689.66232941 0.0410010
6875.55030786 0.1012493
2648.45220711 0.2522764
1049.9807370 0.5766767
Y S
422.47853745 -0.5348801
172.31836708 -0.4651198
Y S
28.30120953 0.7509238
12.66764116 0.2490761
Y S
5.05894842 0.6863196
2.20390257 0.3136803
Y S
0.72735771 0.6399224
0.30401193 0.3600775
Y S
60.56530325 1.0000000
Y S
0.01355997 1.0000000
Y S
0.04783584 1.0000000
Y P
11876.25484875 0.0009397
3268.55095104 0.0033491
1184.41460471 0.0136442
463.14383928 0.0517347
191.23738154 0.1583925
82.85996128 0.3508255
37.20448645 0.4211141
Y P
7.6564011 -0.5178717
3.40344219 -0.4821282
Y P
1.2829311 0.2898036
0.54825392 0.5360604
0.21437241 0.1741359
Y P
17.15817260 1.0000000
Y P
0.0178200 1.0000000
Y P
0.4114200 1.0000000
Y D
251.01056821 0.0062628
74.41352333 0.0434411
27.67867091 0.1557311
11.29136346 0.3101388
4.69433459 0.3367227
1.90670194 0.1477033
Y D
0.54823392 1.0000000
Y D
0.15142201 1.0000000
Y F
0.1850700 1.0000000
end
basis "Zr_DZP-DKH" SPHERICAL
Zr S
2781833.7947053 0.0018358
521679.34119767 0.0030487
232681.77811491 0.0052634
84513.10458904 0.0114081
29766.90252877 0.0342103
10124.32159146 0.0881896
3460.3699189 0.2505825
1252.98274981 0.6054613
Zr S
481.43559062 0.5217763
193.90606984 0.4782236
Zr S
34.55236991 0.6552832
15.72702912 0.3447167
Zr S
6.01921411 -0.5657201
2.73304983 -0.4342798
Zr S
0.88207095 0.5300357
0.3825738 0.4699642
Zr S
69.95003434 1.0000000
Zr S
0.13288936 1.0000000
Zr S
0.03858854 1.0000000
Zr P
17433.18339499 0.0006543
4092.13852623 0.0029935
1287.90645575 0.0139507
470.78808171 0.0547189
188.77750638 0.1703368
80.0975033 0.3625743
35.70749649 0.3947713
Zr P
7.47181964 -0.5719392
3.45589878 -0.4280607
Zr P
1.43859577 0.3548300
0.62829833 0.4761975
0.24642987 0.1689723
Zr P
16.30509695 1.0000000
Zr P
1.55834023 1.0000000
Zr P
0.0870395 1.0000000
Zr D
478.61550846 0.0024038
116.66667146 0.0253328
40.39157075 0.1133527
15.90768908 0.2802138
6.44422978 0.3719735
2.56789898 0.2067232
Zr D
0.72924748 1.0000000
Zr D
0.20333759 1.0000000
Zr F
0.3338870 1.0000000
end
basis "Nb_DZP-DKH" SPHERICAL
Nb S
2647176.52961261 0.0017714
457294.91677157 0.0037645
163476.25654884 0.0066399
53454.99965722 0.0177494
19717.46414062 0.0386958
7472.76290862 0.0984775
2777.02236973 0.2589181
1071.12539495 0.5739830
Nb S
433.30069504 -0.5580094
181.27990015 -0.4419905
Nb S
31.19877739 -0.7674576
14.07550304 -0.2325423
Nb S
5.26274186 0.8038372
2.03680408 0.1961627
Nb S
0.9266687 -0.6783846
0.35374866 -0.3216153
Nb S
68.14488671 1.0000000
Nb S
0.02058958 1.0000000
Nb S
0.06620541 1.0000000
Nb P
11862.75549267 0.0011451
3473.05312761 0.0032117
1446.43343522 0.0111805
570.72778707 0.0469726
226.76583688 0.1541934
95.82006725 0.3511934
42.43191005 0.4321028
Nb P
8.55451234 -0.5480472
3.85495624 -0.4519527
Nb P
1.50345997 0.3643442
0.67659991 0.4817009
0.27911404 0.1539548
Nb P
19.33951570 1.0000000
Nb P
0.5918400 1.0000000
Nb P
0.1775085 1.0000000
Nb D
230.52753252 0.0095800
68.52379287 0.0628844
25.17510472 0.2091281
9.99418518 0.3626031
4.00263031 0.2977437
1.3961519 0.0580604
Nb D
0.47770553 1.0000000
Nb D
0.14110582 1.0000000
Nb F
0.3993900 1.0000000
end
basis "Mo_DZP-DKH" SPHERICAL
Mo S
2026740.93270436 0.0024008
385350.13660691 0.0043811
153625.66721216 0.0062593
59074.20718888 0.0184487
18926.56514348 0.0507998
7049.14637847 0.1048640
2906.9102769 0.2472079
1178.86891419 0.5656380
Mo S
474.86543884 -0.5482821
193.86208674 -0.4517178
Mo S
30.71565223 0.8216425
13.28375914 0.1783574
Mo S
5.3497234 -0.8603516
1.94467514 -0.1396483
Mo S
0.97320128 0.7109546
0.3219083 0.2890453
Mo S
67.20988264 1.0000000
Mo S
0.11839548 1.0000000
Mo S
0.05367322 1.0000000
Mo P
10863.79422813 0.0013285
3502.46398906 0.0031797
1407.06428281 0.0134849
537.92230924 0.0539473
218.13351373 0.1644623
94.27836494 0.3546650
42.46633549 0.4089322
Mo P
8.99486403 -0.5170763
4.14037062 -0.4829236
Mo P
1.68330345 0.3422137
0.73126273 0.5114253
0.29053886 0.1463609
Mo P
19.68084827 1.0000000
Mo P
0.1304384 1.0000000
Mo P
0.0436769 1.0000000
Mo D
260.3968219 0.0086671
77.45152306 0.0576921
28.75103788 0.1953048
11.59423933 0.3539902
4.72142252 0.3141435
1.73212087 0.0702021
Mo D
0.60240161 1.0000000
Mo D
0.17860241 1.0000000
Mo F
0.5145300 1.0000000
end
basis "Tc_DZP-DKH" SPHERICAL
Tc S
3139140.58329154 0.0019346
471413.15022019 0.0052595
134107.3150476 0.0098745
47768.66748258 0.0210094
19077.1843479 0.0430761
8079.99070544 0.0965012
3181.02170447 0.2556110
1254.46032689 0.5667332
Tc S
506.76289354 -0.5419916
208.46449746 -0.4580083
Tc S
34.50365584 0.7801589
15.3968488 0.2198410
Tc S
6.03229864 0.8085228
2.55364434 0.1914771
Tc S
1.00908096 -0.7756395
0.40046708 -0.2243604
Tc S
75.61155803 1.0000000
Tc S
0.11504476 1.0000000
Tc S
0.04395116 1.0000000
Tc P
9979.24250068 0.0016820
3311.96217816 0.0039631
1350.82336528 0.0153185
567.93484283 0.0514872
245.71245663 0.1528630
108.61018931 0.3472278
49.71906877 0.4274581
Tc P
10.41529855 -0.4830531
4.73642591 -0.5169468
Tc P
1.9444123 0.3047696
0.86834586 0.5325783
0.34281339 0.1626520
Tc P
23.51988606 1.0000000
Tc P
0.0425767 1.0000000
Tc P
0.1389033 1.0000000
Tc D
286.55790423 0.0081522
85.35792135 0.0550990
31.66763425 0.1906510
12.80454523 0.3536648
5.23836944 0.3202675
1.94981292 0.0721651
Tc D
0.68241228 1.0000000
Tc D
0.20266464 1.0000000
Tc F
0.6071995 1.0000000
end
basis "Ru_DZP-DKH" SPHERICAL
Ru S
2570066.23316876 0.0021136
577076.69794713 0.0037457
181502.48207906 0.0080890
66068.82154153 0.0165050
24801.43317493 0.0407513
9041.30244477 0.1018866
3363.11647309 0.2557961
1300.20521635 0.5711123
Ru S
520.50863144 -0.5504563
215.1329861 -0.4495436
Ru S
36.04117033 -0.7726665
15.95457817 -0.2273334
Ru S
6.71765862 0.7573772
3.03211453 0.2426227
Ru S
1.10914852 -0.7907320
0.4399249 -0.2092679
Ru S
77.65227294 1.0000000
Ru S
0.06945088 1.0000000
Ru S
0.02011606 1.0000000
Ru P
16364.03439489 0.0010703
4506.83503512 0.0033712
1674.42461191 0.0130391
652.77539066 0.0489417
271.51580069 0.1478216
118.46396693 0.3420914
53.34197249 0.4436643
Ru P
10.79237836 -0.5102952
4.89847969 -0.4897047
Ru P
2.0120531 0.3577561
0.89971331 0.4998272
0.36562072 0.1424165
Ru P
24.55158335 1.0000000
Ru P
0.1873176 1.0000000
Ru P
0.0367516 1.0000000
Ru D
307.23219126 0.0082013
89.82535922 0.0570139
33.07620495 0.1985436
13.26497302 0.3647570
5.40651589 0.3126190
1.95045933 0.0588649
Ru D
0.69272513 1.0000000
Ru D
0.20646625 1.0000000
Ru F
0.5232228 1.0000000
end
basis "Rh_DZP-DKH" SPHERICAL
Rh S
2884494.5274652 -0.0022329
612988.02186496 -0.0056569
191321.96339931 -0.0071719
62425.39919639 -0.0221926
22335.36741682 -0.0495202
9195.2220216 -0.0894055
3692.45539385 -0.2591562
1443.18320881 -0.5646636
Rh S
574.40819194 -0.5397578
235.33590577 -0.4602421
Rh S
40.85742283 -0.7233276
18.95264617 -0.2766723
Rh S
7.09096883 0.7687304
3.01038734 0.2312695
Rh S
1.25103809 -0.7719302
0.47580076 -0.2280697
Rh S
86.25195573 1.0000000
Rh S
0.02335264 1.0000000
Rh S
0.07560319 1.0000000
Rh P
14901.7117588 0.0011537
5157.10885949 0.0027598
1785.50730789 0.0139875
657.45709113 0.0533211
267.73468475 0.1598697
117.41239574 0.3461978
54.07969456 0.4227100
Rh P
11.19976479 -0.5248859
5.14312963 -0.4751140
Rh P
2.09026925 0.3990650
0.93509606 0.4703566
0.38381066 0.1305783
Rh P
25.37897575 1.0000000
Rh P
0.1825727 1.0000000
Rh P
0.0457754 1.0000000
Rh D
330.54861639 0.0079830
97.17152848 0.0556683
35.76747261 0.1972486
14.34976536 0.3668264
5.88321427 0.3142460
2.16097749 0.0580274
Rh D
0.77506824 1.0000000
Rh D
0.23653019 1.0000000
Rh F
0.7482000 1.0000000
end
basis "Pd_DZP-DKH" SPHERICAL
Pd S
11437261.29738128 -0.0011795
2265314.71775539 -0.0039777
674634.30277928 -0.0044321
289534.11730807 -0.0091522
109592.16018243 -0.0218628
50658.86455336 -0.0333051
18996.48708033 -0.1059677
6957.42123918 -0.2488671
2708.31520512 -0.5712555
Pd S
1099.10890027 -0.4272020
470.51477198 -0.5727979
Pd S
75.90415599 -0.3738512
36.51735265 -0.6261487
Pd S
7.30877612 -0.7976606
3.25187455 -0.2023393
Pd S
208.59758271 1.0000000
Pd S
16.59126357 1.0000000
Pd S
1.46460230 1.0000000
Pd S
0.57977508 1.0000000
Pd P
20874.80782355 0.0009956
4901.35138242 0.0038540
1777.98399672 0.0133832
695.74581149 0.0512603
283.78879457 0.1582230
122.48409202 0.3515915
55.58056926 0.4206921
Pd P
11.98636537 -0.5222993
5.54235795 -0.4777006
Pd P
2.0872662 0.5064646
0.89761184 0.4569490
0.33379647 0.0365863
Pd P
26.03274009 1.0000000
Pd P
0.4168982 1.0000000
Pd P
0.0864491 1.0000000
Pd D
479.03528606 0.0045982
130.51042484 0.0397377
45.84800195 0.1652112
17.97001702 0.3544164
7.22102435 0.3564224
2.64184313 0.0796140
Pd D
0.92641479 1.0000000
Pd D
0.25806916 1.0000000
Pd F
0.8520000 1.0000000
end
basis "Ag_DZP-DKH" SPHERICAL
Ag S
3713780.93731371 0.0024938
693919.36932121 0.0043126
325428.41692311 0.0055181
108507.37924419 0.0186926
35632.30853931 0.0440244
12903.57882805 0.0994490
4831.40008671 0.2481730
1845.61768816 0.5773361
Ag S
718.00322237 0.5087023
286.99682342 0.4912976
Ag S
50.29630614 -0.6818216
22.61657703 -0.3181783
Ag S
8.20344403 -0.7379494
3.65648408 -0.2620505
Ag S
1.37917434 0.8020944
0.52675923 0.1979055
Ag S
114.05973484 1.0000000
Ag S
0.08007237 1.0000000
Ag S
0.02788400 1.0000000
Ag P
28319.42450268 0.0008777
6655.02505642 0.0032150
2437.30247442 0.0097624
1009.97998425 0.0366993
405.00663336 0.1259151
170.15095307 0.3307812
75.26381551 0.4927490
Ag P
14.61985357 -0.4437416
6.53591414 -0.5562583
Ag P
2.56909194 0.3592165
1.11621078 0.5111821
0.43332979 0.1296013
Ag P
34.26698056 1.0000000
Ag P
0.1449000 1.0000000
Ag P
0.0366000 1.0000000
Ag D
604.1875346 0.0034887
153.74364114 0.0341209
53.05008732 0.1505845
20.66218462 0.3455685
8.30213463 0.3713745
3.17178204 0.0948627
Ag D
1.14701380 1.0000000
Ag D
0.33944361 1.0000000
Ag F
1.0994630 1.0000000
end
basis "Cd_DZP-DKH" SPHERICAL
Cd S
3155085.06499701 0.0025660
660772.13404554 0.0041540
238881.52916262 0.0089810
72735.34368029 0.0239368
25634.5200725 0.0485230
10770.27869179 0.0932764
4342.40753979 0.2492463
1666.21187517 0.5693160
Cd S
658.00203774 -0.5386375
267.56312988 -0.4613624
Cd S
43.01025151 0.8154785
18.37219288 0.1845214
Cd S
7.96434968 -0.7578008
3.25845033 -0.2421991
Cd S
1.5035075 0.0000001
0.46229911 0.9999998
Cd S
93.94102375 1.0000000
Cd S
0.35164902 1.0000000
Cd S
0.06345509 1.0000000
Cd P
21673.06753263 0.0011747
5265.80274347 0.0043973
1866.01888067 0.0152564
780.79150255 0.0480212
342.85791348 0.1414969
151.41508768 0.3397870
68.90567073 0.4498663
Cd P
14.22473306 -0.4878582
6.63269547 -0.5121417
Cd P
2.89148336 0.3356507
1.32796742 0.5026472
0.54612318 0.1617020
Cd P
32.29473415 1.0000000
Cd P
0.0502000 1.0000000
Cd P
0.3350000 1.0000000
Cd D
391.08708949 0.0080383
116.5605861 0.0550752
43.34170961 0.1965345
17.62374763 0.3687594
7.39389667 0.3161038
2.79634646 0.0554886
Cd D
1.05431969 1.0000000
Cd D
0.34517249 1.0000000
Cd F
1.1178000 1.0000000
end
basis "In_DZP-DKH" SPHERICAL
In S
3911387.99396017 0.0019106
616287.73481971 0.0051095
151103.30117264 0.0122150
47141.85872853 0.0264067
17529.40640418 0.0549934
7260.52500212 0.1118848
3025.71991729 0.2650582
1247.90516632 0.5224215
In S
525.78514244 -0.6182111
227.70274356 -0.3817888
In S
37.42356574 0.8595418
15.40856655 0.1404581
In S
7.80235647 -0.9674241
3.66651376 -0.0325758
In S
1.58107676 0.8300646
0.68346506 0.1699353
In S
81.15347986 1.0000000
In S
0.16693398 1.0000000
In S
0.06074596 1.0000000
In P
15057.43809137 0.0015978
3736.13730897 0.0063150
1305.52437933 0.0236237
530.19961571 0.0749274
227.22714039 0.2056037
100.29531263 0.3698071
45.55071966 0.3181250
In P
9.30536768 -0.7398548
4.34502689 -0.2601451
In P
2.03496374 0.7377750
0.89930195 0.2561995
0.04072711 0.0060254
In P
19.89039293 1.0000000
In P
0.34908476 1.0000000
In P
0.11984145 1.0000000
In D
404.44497713 0.0084245
120.40150512 0.0575138
44.84756662 0.2023909
18.32709234 0.3727961
7.7691023 0.3081591
3.02700765 0.0507152
In D
1.17153703 1.0000000
In D
0.40449780 1.0000000
In F
1.2673800 1.0000000
end
basis "Sn_DZP-DKH" SPHERICAL
Sn S
4238589.38529473 0.0021979
673793.42495089 0.0057620
170097.0764782 0.0131238
55609.70461290 0.0265849
21415.49971415 0.0544851
8977.6637589 0.1097070
3782.07819166 0.2553987
1562.92528277 0.5327401
Sn S
648.12338474 -0.5627676
272.54080122 -0.4372323
Sn S
46.76879883 -0.7367795
22.69311379 -0.2632204
Sn S
9.71239974 -0.7370823
4.80098504 -0.2629176
Sn S
1.87390748 0.7304300
0.82932636 0.2695699
Sn S
94.87261510 1.0000000
Sn S
0.20078915 1.0000000
Sn S
0.07538279 1.0000000
Sn P
15934.47942881 0.0016271
3949.03996243 0.0063469
1382.8987827 0.0233327
566.21188582 0.0727218
244.15478655 0.2003071
107.89717825 0.3679727
48.96252198 0.3276913
Sn P
10.07938092 0.7303119
4.75501791 0.2696880
Sn P
2.25355772 0.6898991
1.01299742 0.3017230
0.15319025 -0.0083777
Sn P
21.42982885 1.0000000
Sn P
0.39772444 1.0000000
Sn P
0.05502644 1.0000000
Sn D
439.54036499 0.0079683
130.83523828 0.0549273
48.7864467 0.1963897
20.01140691 0.3698314
8.53464202 0.3154885
3.38957135 0.0553945
Sn D
1.34061058 1.0000000
Sn D
0.47738533 1.0000000
Sn F
1.4803000 1.0000000
end
basis "Sb_DZP-DKH" SPHERICAL
Sb S
4576912.39461047 -0.0022886
722274.85585881 -0.0057420
180461.44189899 -0.0139556
58510.85396354 -0.0268979
22407.98050811 -0.0569897
9397.19468637 -0.1094959
3988.08004008 -0.2571553
1658.51236772 -0.5274747
Sb S
689.53631958 -0.5571336
290.33252531 -0.4428663
Sb S
51.76115244 -0.6955033
25.43660363 -0.3044966
Sb S
10.68711246 -0.6762834
5.35097749 -0.3237165
Sb S
2.08203748 0.6759606
0.94593102 0.3240393
Sb S
103.03896014 1.0000000
Sb S
0.23237717 1.0000000
Sb S
0.08908140 1.0000000
Sb P
17526.99848246 0.0025362
4338.38561674 0.0093262
1521.20209475 0.0363130
625.08384057 0.1016745
269.92029289 0.3195598
119.21923344 0.5305899
Sb P
24.01714113 -0.1833073
11.38682967 -0.8166926
Sb P
5.48204731 -0.0651330
2.57971786 0.5272597
1.16867338 0.3910977
0.4633580 0.0165093
Sb P
54.10285183 1.0000000
Sb P
0.18646747 1.0000000
Sb P
0.06892036 1.0000000
Sb D
482.52442053 0.0073123
144.20982987 0.0505971
54.02687331 0.1845474
22.27295388 0.3619695
9.5347044 0.3297735
3.84640851 0.0657999
Sb D
1.54677239 1.0000000
Sb D
0.56155038 1.0000000
Sb F
1.7468010 1.0000000
end
basis "Te_DZP-DKH" SPHERICAL
Te S
4650601.62944046 -0.0023907
732410.37796376 -0.0062175
183587.78336399 -0.0141861
60119.30754396 -0.0284166
23190.68448638 -0.0568049
9737.01632783 -0.1140856
4166.07002735 -0.2523592
1748.29117439 -0.5255389
Te S
729.63641733 -0.5504144
307.46500803 -0.4495855
Te S
55.97521174 -0.6766914
27.54602392 -0.3233085
Te S
11.33873168 -0.6699929
5.70208693 -0.3300070
Te S
2.22186025 0.6845782
1.0266713 0.3154217
Te S
110.73724148 1.0000000
Te S
0.27246346 1.0000000
Te S
0.10489073 1.0000000
Te P
8289.94492999 0.0035423
4521.61764712 0.0029522
1585.75140286 0.0242275
654.35415772 0.0661249
283.7621631 0.1913404
125.50601977 0.3619133
56.92437628 0.3498991
Te P
11.96243933 -0.6989548
5.74608357 -0.3010451
Te P
2.71079969 0.6346880
1.23555585 0.3005980
0.47667416 0.0647139
Te P
25.23465437 1.0000000
Te P
0.19817871 1.0000000
Te P
0.07356233 1.0000000
Te D
519.00405018 0.0070604
155.37108353 0.0489591
58.31953191 0.1807279
24.1103958 0.3607853
10.36130878 0.3344266
4.22870886 0.0680406
Te D
1.72518271 1.0000000
Te D
0.63881217 1.0000000
Te F
1.9721100 1.0000000
end
basis "I_DZP-DKH" SPHERICAL
I S
5464702.08060097 0.0022010
849942.52168504 0.0059336
207458.86762606 0.0137360
64929.86485391 0.0289591
23909.80880875 0.0599806
9850.71275593 0.1154691
4222.34623514 0.2554331
1781.76403452 0.5182871
I S
749.21394356 -0.5544582
318.75246448 -0.4455417
I S
59.88344918 -0.6579130
29.50227605 -0.3420869
I S
12.24593624 -0.6349870
6.20345391 -0.3650129
I S
2.43764323 0.6518901
1.14985168 0.3481098
I S
118.02205930 1.0000000
I S
0.30638210 1.0000000
I S
0.11926836 1.0000000
I P
20182.20166081 0.0016094
4999.21100888 0.0059094
1768.53795847 0.0204900
734.7752808 0.0629189
317.5116541 0.1798365
139.60118455 0.3605064
63.12833732 0.3687292
I P
13.45203045 -0.6684080
6.52579989 -0.3315919
I P
3.02467901 0.6059378
1.38040546 0.3385645
0.52669045 0.0554975
I P
28.34086632 1.0000000
I P
0.22217820 1.0000000
I P
0.08328104 1.0000000
I D
565.9883795 0.0066068
168.69681731 0.0466142
63.14306896 0.1755992
26.1030685 0.3583238
11.24530421 0.3404563
4.6390732 0.0723995
I D
1.91572411 1.0000000
I D
0.72024616 1.0000000
I F
2.20029999 1.0000000
end
basis "Xe_DZP-DKH" SPHERICAL
Xe S
5300603.6455303 0.0024061
830291.96023362 0.0064271
204622.59537664 0.0145828
65467.65670800 0.0298412
24638.35965707 0.0610773
10166.6217443 0.1186330
4378.44248334 0.2557231
1872.44267126 0.5113090
Xe S
791.67226166 -0.5495208
335.97247692 -0.4504791
Xe S
62.71741001 -0.6606470
30.8580286 -0.3393529
Xe S
12.5844189 -0.6679592
6.37253749 -0.3320407
Xe S
2.52103894 0.6928658
1.19813268 0.3071341
Xe S
123.77865014 1.0000000
Xe S
0.35467594 1.0000000
Xe S
0.13770054 1.0000000
Xe P
19789.21536178 0.0017567
4884.3186152 0.0065162
1716.21072091 0.0227179
717.46791924 0.0670012
315.32662293 0.1848753
140.29749882 0.3603001
63.76419492 0.3568321
Xe P
13.53639555 -0.6944550
6.53430209 -0.3055449
Xe P
3.09312426 0.6533198
1.44315313 0.2884794
0.57854424 0.0582007
Xe P
28.46523338 1.0000000
Xe P
0.24632510 1.0000000
Xe P
0.09406752 1.0000000
Xe D
562.16186208 0.0074019
166.96897515 0.0517497
62.58995927 0.1884608
26.06667973 0.3652916
11.40476322 0.3241532
4.80680923 0.0629424
Xe D
2.02133549 1.0000000
Xe D
0.77586645 1.0000000
Xe F
2.37949999 1.0000000
end
basis "Cs_DZP-DKH" SPHERICAL
Cs S
6358555.97315775 0.0017020
975197.47595161 0.0046002
231373.26611387 0.0111092
69185.23544252 0.0245680
23659.17763478 0.0552355
8710.01454098 0.1242032
3367.61386358 0.2747904
1364.80248248 0.5037910
Cs S
581.63387583 0.6523428
258.80694654 0.3476571
Cs S
95.88801448 -0.4929633
43.54566052 -0.5070366
Cs S
16.32206039 0.3105445
8.45550848 0.6894554
Cs S
3.07402909 0.4562464
1.53791203 0.5437535
Cs S
0.3979442 -0.6124747
0.17766636 -0.3875252
Cs S
0.02479428 1.0000000
Cs S
0.01195514 1.0000000
Cs P
21037.84374441 0.0016697
5071.37994339 0.0063689
1668.89333058 0.0263237
635.10758740 0.0842258
263.08966412 0.2342341
115.50808456 0.3518730
52.87866472 0.2953046
Cs P
23.22594073 0.4495580
10.93541108 0.5504419
Cs P
4.7796866 0.2409055
2.26180403 0.7590944
Cs P
1.01555189 0.2205990
0.3907088 0.7794009
Cs P
0.14486649 1.0000000
Cs P
0.01678762 1.0000000
Cs D
440.68504626 0.0161866
131.17304432 0.1059899
48.69780966 0.3347614
19.65225281 0.5430620
Cs D
8.26146128 0.0873832
3.16805389 0.5295794
1.1460849 0.3830373
Cs D
7.68863433 1.0000000
end
basis "Ba_DZP-DKH" SPHERICAL
Ba S
4105408.7752721 0.0013349
640608.8306394 0.0034929
156917.3696354 0.0081539
49428.64291976 0.0172559
17854.91576732 0.0376031
6754.77672865 0.0854695
2617.27317214 0.1868967
1055.27787274 0.3083933
446.61790989 0.3105730
194.65852105 0.0408262
Ba S
0.47187296 -0.7333998
0.22162859 -0.2666001
Ba S
40.75591794 1.0000000
Ba S
15.76230201 1.0000000
Ba S
3.16400079 1.0000000
Ba S
1.58517431 1.0000000
Ba S
0.04155245 1.0000000
Ba S
0.01800469 1.0000000
Ba P
20790.78649538 0.0018258
5075.01233415 0.0067381
1705.4593875 0.0268893
662.49806644 0.0829009
278.0963688 0.2309046
122.91314505 0.3473797
56.44361747 0.3033615
Ba P
24.90820425 0.4282180
11.79430949 0.5717819
Ba P
5.25272385 0.2496539
2.5120921 0.5894355
1.15038269 0.1609105
Ba P
0.45241457 1.0000000
Ba P
0.17448459 1.0000000
Ba P
0.01654198 1.0000000
Ba D
485.73820421 0.0106946
144.54597384 0.0707316
53.66053808 0.2320806
21.6895271 0.3800241
9.16389558 0.3064689
Ba D
3.50661153 0.5989391
1.28254997 0.4010608
Ba D
9.79091475 1.0000000
end
basis "La_DZP-DKH" SPHERICAL
La S
3998130.73722109 0.0040689
616447.48845486 0.0107919
147546.92430256 0.0258855
45145.56511044 0.0564533
16169.16612592 0.1176119
6278.34871464 0.2624886
2520.93278028 0.5226996
La S
1045.79266257 -0.4669982
451.41249006 -0.4108107
199.27398408 -0.1221909
La S
90.81290524 -0.6200702
42.58651612 -0.3799297
La S
16.89186846 0.3908281
8.79627248 0.6091718
La S
3.58496243 -0.4484314
1.78854507 -0.5515685
La S
0.53191336 0.5718352
0.25623851 0.4281647
La S
0.05260473 1.0000000
La S
0.02254009 1.0000000
La P
21518.62949477 0.0018882
5253.50151695 0.0067936
1787.44050128 0.0264679
711.41536934 0.0762512
304.6976537 0.2180056
135.87490194 0.3330549
62.47138045 0.3375386
La P
27.6927786 0.3890060
13.16508623 0.4529875
6.02513259 0.1580064
La P
1.36042431 0.1436099
0.52211722 0.8563900
La P
2.89717519 1.0000000
La P
0.2016244 1.0000000
La P
0.0559890 1.0000000
La D
558.48078918 0.0101406
168.08085189 0.0647535
63.76158908 0.2268837
26.70219944 0.3841403
11.76349747 0.3140817
La D
4.84911194 -0.5334640
2.00222533 -0.4665359
La D
0.71963271 1.0000000
La D
0.18696763 1.0000000
La F
0.2459837 1.0000000
end
basis "Hf_DZP-DKH" SPHERICAL
Hf S
6410731.86049468 0.0059307
982921.10883135 0.0152481
233876.26777358 0.0341191
72011.56845561 0.0682002
26282.76228597 0.1266301
10313.88377026 0.2664500
4108.18805489 0.4834215
Hf S
1677.82905866 0.5058108
712.54432032 0.3798608
304.99517413 0.1143283
Hf S
144.08890318 -0.7820198
68.90441519 -0.2179801
Hf S
27.93528937 0.5623734
14.6576598 0.4376265
Hf S
6.03493432 -0.6647375
2.94698031 -0.3352624
Hf S
0.87711516 -0.6922624
0.39440701 -0.3077375
Hf S
0.07171444 1.0000000
Hf S
0.02839927 1.0000000
Hf P
30668.25948905 0.0033003
7427.36916277 0.0109353
2472.92649251 0.0391737
961.64000268 0.1096260
409.76032624 0.2649049
185.67234061 0.3388858
87.8845603 0.2331738
Hf P
40.72343996 0.5921003
19.96625157 0.4078996
Hf P
9.03327815 0.4165697
4.23449844 0.5834302
Hf P
1.79496141 0.2699272
0.76505995 0.7300727
Hf P
0.29289971 1.0000000
Hf P
0.05491585 1.0000000
Hf D
794.64137627 0.0159545
239.68675574 0.0942388
91.48245986 0.2905735
38.63442299 0.4048618
17.0537650 0.1943712
Hf D
7.27509326 0.6963666
2.93345329 0.3036333
Hf D
0.79007033 1.0000000
Hf D
0.21353665 1.0000000
Hf F
57.30718915 0.0611102
17.80864909 0.2413361
6.0391431 0.3857075
1.83994935 0.3118461
Hf F
2.12707466 1.0000000
end
basis "Ta_DZP-DKH" SPHERICAL
Ta S
6597232.23193603 0.0024862
1007458.94587496 0.0063880
239475.86147182 0.0142389
74172.03331521 0.0273712
27851.68896941 0.0498102
11273.13542395 0.0966558
4533.90520179 0.1929274
1849.45938139 0.2846464
785.50643948 0.2800340
345.3180915 0.0454403
Ta S
28.67618248 1.0000000
Ta S
15.14752397 1.0000000
Ta S
3.06767452 1.0000000
Ta S
0.94246775 1.0000000
Ta S
0.4248492 1.0000000
Ta S
0.07800452 1.0000000
Ta S
0.03028834 1.0000000
Ta P
31179.9837387 0.0034749
7652.69489837 0.0110787
2601.52154392 0.0384213
1031.27374267 0.1043968
443.86760314 0.2574985
201.61601469 0.3378606
95.35127783 0.2472691
Ta P
44.05112795 0.5769549
21.62521867 0.4230450
Ta P
9.91592843 0.3941788
4.70165754 0.6058211
Ta P
2.0812157 0.2615624
0.86639316 0.7384375
Ta P
0.32979551 1.0000000
Ta P
0.02927985 1.0000000
Ta D
766.91328433 0.0190125
231.08003274 0.1108589
88.10199526 0.3221237
37.1728187 0.3992750
16.23257498 0.1487297
Ta D
7.02792586 -0.7761265
2.89181117 -0.2238734
Ta D
0.81047042 1.0000000
Ta D
0.22972783 1.0000000
Ta F
61.65853553 0.0686535
19.25206034 0.2658316
6.59355469 0.4039540
2.04937197 0.2615608
Ta F
2.5236970 1.0000000
end
basis "W_DZP-DKH" SPHERICAL
W S
6418565.18753791 0.0064532
983288.65062392 0.0163546
238048.00574063 0.0355482
74232.33704228 0.0703243
27262.74161667 0.1286573
10762.34210691 0.2669684
4306.80027543 0.4756937
W S
1761.82798206 0.5132371
747.53643864 0.3738563
317.20624561 0.1129064
W S
151.32385871 0.8151981
72.69694364 0.1848018
W S
29.40479782 0.5930388
15.44017399 0.4069611
W S
6.43794438 -0.6876898
3.1879674 -0.3123101
W S
1.01232978 0.7242124
0.45538889 0.2757875
W S
0.08473158 1.0000000
W S
0.0324967 1.0000000
W P
35145.85681559 0.0032285
8519.34740943 0.0102829
2852.76372126 0.0359220
1117.14451937 0.0987422
476.95658162 0.2475066
215.1400099 0.3394338
101.00605085 0.2648838
W P
45.99411001 0.5407956
22.40997337 0.4592043
W P
10.08037113 0.3922483
4.7615397 0.6077516
W P
2.05271764 0.2770517
0.8897736 0.7229482
W P
0.34335843 1.0000000
W P
0.0601934 1.0000000
W D
822.87635084 0.0170077
248.38600067 0.0991188
94.87349465 0.2997735
40.11191776 0.4044853
17.65608185 0.1796145
W D
7.62295985 -0.7331697
3.14804289 -0.2668302
W D
0.90098149 1.0000000
W D
0.26087337 1.0000000
W F
65.62008117 0.0600240
20.58374062 0.2437701
7.11329521 0.4018664
2.25077914 0.2943394
W F
0.55804402 1.0000000
end
basis "Re_DZP-DKH" SPHERICAL
Re S
7353173.11873758 0.0025343
1141458.7004534 0.0063719
276849.16595284 0.0138526
85729.52806891 0.0273752
30584.31207753 0.0535798
11617.47261026 0.1070662
4559.60994257 0.2024546
1861.78512972 0.2974879
796.05385143 0.2671398
348.75709751 0.0221367
Re S
77.29346694 1.0000000
Re S
31.18431102 1.0000000
Re S
6.82105035 1.0000000
Re S
3.46056947 1.0000000
Re S
0.61060371 1.0000000
Re S
0.26088612 1.0000000
Re S
0.05765105 1.0000000
Re P
38607.68664896 0.0031161
9278.26796902 0.0099509
3052.91144965 0.0353156
1168.34489235 0.1008994
488.07916315 0.2548180
216.40685403 0.3491139
100.43499637 0.2467859
Re P
44.74024474 0.6223075
21.64509204 0.3776924
Re P
8.67264996 0.5796761
4.21007873 0.4203238
Re P
2.18094428 0.2713515
1.05646507 0.7286484
Re P
0.43361436 1.0000000
Re P
0.0410164 1.0000000
Re D
828.06708115 0.0181497
249.08888098 0.1061092
94.44727925 0.3158506
39.40399687 0.4090277
16.75617562 0.1508626
Re D
7.35752298 -0.7978421
3.09657904 -0.2021578
Re D
0.92786581 1.0000000
Re D
0.27711325 1.0000000
Re F
69.8803777 0.0608483
22.00531312 0.2475644
7.66325167 0.4101966
2.46182535 0.2813906
Re F
0.79685276 1.0000000
end
basis "Os_DZP-DKH" SPHERICAL
Os S
6920939.29740365 0.0027952
1072260.5250188 0.0069948
260040.58299031 0.0150968
81982.95828265 0.0285439
30656.95009919 0.0525673
12168.52587471 0.1030957
4861.52927595 0.1974696
1991.06140312 0.2926512
851.39541112 0.2747293
377.20291096 0.0260553
Os S
6.99392866 0.7149057
3.53088523 0.2850942
Os S
1.13682714 -0.7436224
0.50117028 -0.2563775
Os S
80.5567551 1.0000000
Os S
32.23473776 1.0000000
Os S
17.07709338 1.0000000
Os S
0.0881159 1.0000000
Os S
0.03284448 1.0000000
Os P
40346.12050402 0.0031483
9844.65415646 0.0096010
3291.23708579 0.0334589
1268.67634529 0.0945330
530.87177153 0.2439348
235.88871766 0.3433542
109.8316406 0.2719696
Os P
49.91984576 -0.5286506
24.37713618 -0.4713493
Os P
11.10426727 -0.3950517
5.28733593 -0.5273917
2.3234113 -0.0775565
Os P
1.01104126 1.0000000
Os P
0.38475648 1.0000000
Os P
0.02908831 1.0000000
Os D
836.69122485 0.0189259
252.12086402 0.1091404
96.03347935 0.3186064
40.41822573 0.4039028
17.46614789 0.1494243
Os D
7.54579889 -0.8102552
3.15745393 -0.1897447
Os D
0.95971364 1.0000000
Os D
0.26827271 1.0000000
Os F
73.67007703 0.0600656
23.28958019 0.2466518
8.16802748 0.4113618
2.66067186 0.2819207
Os F
0.74229121 1.0000000
end
basis "Ir_DZP-DKH" SPHERICAL
Ir S
7355062.27296250 0.0069111
1122449.7486304 0.0176586
264043.32652364 0.0393488
79530.18099874 0.0782062
28940.43003677 0.1363938
11833.91309241 0.2624569
4898.94958465 0.4590242
Ir S
2028.13688819 -0.4938033
864.38370146 -0.3790977
378.3970878 -0.1270988
Ir S
170.78383882 -0.7842707
81.1362117 -0.2157292
Ir S
32.67309091 0.5936400
17.21618845 0.4063599
Ir S
7.1874003 -0.7019158
3.63595494 -0.2980841
Ir S
1.20019649 0.7957848
0.52543821 0.2042151
Ir S
0.08892968 1.0000000
Ir S
0.03291613 1.0000000
Ir P
38431.59716761 0.0156445
3252.59762142 0.2001805
562.51297953 0.7841727
253.74309887 0.4261718
118.60463149 0.3727620
Ir P
53.95344888 -0.4230753
26.3523015 -0.5769246
Ir P
12.11454332 0.4029589
5.78798245 0.5970410
Ir P
2.60343024 0.5422362
1.11210204 0.4577637
Ir P
0.4213489 1.0000000
Ir P
0.0357323 1.0000000
Ir D
854.65756706 0.0187164
257.4491460 0.1077190
97.98220218 0.3187818
41.19164459 0.4068428
17.70900161 0.1479398
Ir D
7.64851115 -0.8271810
3.21028776 -0.1728189
Ir D
1.01887691 1.0000000
Ir D
0.28992313 1.0000000
Ir F
77.67028678 0.0588165
24.64579022 0.2456998
8.70155207 0.4119069
2.87091399 0.2835766
Ir F
0.71360987 1.0000000
end
basis "Pt_DZP-DKH" SPHERICAL
Pt S
2791808.07651936 0.0052740
882487.58526301 0.0036641
278953.39392896 0.0166259
83026.90575739 0.0288106
33189.87040279 0.0488852
13267.59665804 0.1021060
5303.70016346 0.1868102
2181.30805267 0.2932968
928.84325487 0.2586253
395.51946414 0.0559015
Pt S
30.53825011 -0.8144023
13.0037789 -0.1855976
Pt S
168.41985523 1.0000000
Pt S
71.71643928 1.0000000
Pt S
5.53726114 1.0000000
Pt S
1.00402809 1.0000000
Pt S
0.18205253 1.0000000
Pt S
0.07752150 1.0000000
Pt P
25389.72897085 0.0052607
7404.32819925 0.0130455
2613.69445646 0.0470923
1062.96770831 0.1154384
472.67119558 0.2631938
218.47683705 0.3367704
100.9837891 0.2191984
Pt P
46.67646144 0.6846154
21.57467126 0.3153845
Pt P
9.97218782 0.5690194
4.60931843 0.4309805
Pt P
2.13050704 0.4262158
0.98475736 0.5737841
Pt P
0.45517196 1.0000000
Pt P
0.12639299 1.0000000
Pt P
0.04712598 1.0000000
Pt D
944.74967668 0.0163935
298.59854131 0.0903710
113.41571932 0.2965888
46.72129236 0.4234354
20.49825991 0.1732111
Pt D
7.6290246 0.8619133
2.83936376 0.1380866
Pt D
1.05675194 1.0000000
Pt D
0.39330102 1.0000000
Pt F
81.71356317 0.0594586
26.01465414 0.2487810
9.24164592 0.4172949
3.08336027 0.2744653
Pt F
0.8488304 1.0000000
end
basis "Au_DZP-DKH" SPHERICAL
Au S
14703222.86676416 0.0037526
2262824.6780320 0.0100581
541256.94037958 0.0214627
164442.91034176 0.0419279
59155.59429110 0.0745368
24111.28878337 0.1319630
10152.24890131 0.2484028
4170.67168425 0.4678957
Au S
1707.4339431 0.5704913
708.28135147 0.4295086
Au S
243.52806941 -0.4833215
117.22573806 -0.4189882
53.38778177 -0.0976901
Au S
10.72476847 0.5023106
4.98291235 0.4976893
Au S
1.37574165 -0.7187708
0.66299967 -0.2812291
Au S
25.23167009 1.0000000
Au S
0.11066351 1.0000000
Au S
0.03911478 1.0000000
Au P
57867.45693148 0.0025583
14466.07282046 0.0069902
5096.80289128 0.0204152
2035.23445681 0.0610881
842.36068729 0.1629640
361.46395991 0.3385020
161.78689265 0.3128406
73.04451373 0.0946414
Au P
16.95126547 0.2800147
7.8956218 0.4069449
3.73415826 0.3130403
Au P
35.18821179 1.0000000
Au P
1.40958119 1.0000000
Au P
0.52307734 1.0000000
Au P
0.12434867 1.0000000
Au P
0.03469933 1.0000000
Au D
1057.31409955 0.0149745
315.34985277 0.0904567
118.76210977 0.2923335
49.52241329 0.4170518
21.54470227 0.1851834
Au D
9.19880872 -0.7782852
3.88284809 -0.2217147
Au D
1.23471691 1.0000000
Au D
0.35702456 1.0000000
Au F
86.31773515 0.0583691
27.55700975 0.2444140
9.83940823 0.4153993
3.31580164 0.2818174
Au F
0.8410348 1.0000000
end
basis "Hg_DZP-DKH" SPHERICAL
Hg S
8239950.19726132 -0.0072838
1266363.04736361 -0.0182230
304451.90337935 -0.0391754
94683.44216671 -0.0740516
34649.41196114 -0.1337414
13556.16738878 -0.2681791
5414.46932168 -0.4593453
Hg S
2230.74069038 -0.4937638
961.04903907 -0.3697935
431.10861937 -0.1364425
Hg S
192.32037861 -0.7754161
91.36666406 -0.2245838
Hg S
36.86513257 0.5777042
19.65998319 0.4222957
Hg S
8.07462828 -0.7042979
4.20077513 -0.2957020
Hg S
1.44233073 0.7733210
0.6455606 0.2266789
Hg S
0.11365974 1.0000000
Hg S
0.04100423 1.0000000
Hg P
60787.01041955 0.0025719
14869.2765082 0.0072921
5090.16046249 0.0217543
2023.38268047 0.0631036
855.8597162 0.1589927
376.7245728 0.3269435
172.36081598 0.3035646
80.37140666 0.1157769
Hg P
38.95959627 -0.9997756
19.19160459 -0.0002243
Hg P
8.81214955 0.7657693
4.19929574 0.2342306
Hg P
1.54376913 1.0000000
Hg P
0.58278433 1.0000000
Hg P
0.03456805 1.0000000
Hg D
1056.80286284 0.0158087
318.39557947 0.0924222
121.35208394 0.2912733
51.23045532 0.4110902
22.59911902 0.1894053
Hg D
9.75444378 -0.7734629
4.17528976 -0.2265370
Hg D
1.37038911 1.0000000
Hg D
0.41818459 1.0000000
Hg F
91.24709249 0.0566771
29.20126842 0.2419364
10.47585449 0.4177672
3.56209639 0.2836191
Hg F
0.89764211 1.0000000
end
basis "Tl_DZP-DKH" SPHERICAL
Tl S
13591197.89947213 0.0040654
2091140.7672869 0.0107429
497635.73497037 0.0229344
151452.45717247 0.0438292
55122.99964791 0.0768573
22562.26745899 0.1354550
9434.62253175 0.2558884
3894.5404853 0.4502272
Tl S
1623.67424209 0.6107954
690.05285559 0.3892045
Tl S
240.06087308 -0.5466853
113.1845603 -0.4533146
Tl S
47.49468928 0.2761412
24.80774739 0.7238587
Tl S
10.21056725 -0.4465601
5.15263035 -0.5534398
Tl S
1.55149083 0.7093936
0.75902855 0.2906063
Tl S
0.14341272 1.0000000
Tl S
0.05484856 1.0000000
Tl P
61688.96859415 0.0029471
15413.37608118 0.0078484
5465.37660244 0.0225530
2202.28024437 0.0653383
913.80847287 0.1774151
391.80924543 0.3662511
175.31195862 0.3576467
Tl P
4.27664733 -0.0361029
1.72246137 -0.6635902
0.70397466 -0.3003067
Tl P
79.56334158 1.0000000
Tl P
38.48896333 1.0000000
Tl P
8.85477772 1.0000000
Tl P
0.16174053 1.0000000
Tl P
0.04912678 1.0000000
Tl D
1210.33402298 0.0132287
361.22274262 0.1033142
136.42024408 0.2534603
57.25511022 0.6299967
Tl D
25.36642867 -0.1740374
10.87038286 -0.5281166
4.66687152 -0.2978459
Tl D
1.5433144 1.0000000
Tl D
0.49186169 1.0000000
Tl F
95.27469602 0.0501719
30.58627048 0.2217231
11.03123539 0.4065862
3.78768483 0.3215186
Tl F
4.9428424 1.0000000
end
basis "Pb_DZP-DKH" SPHERICAL
Pb S
16101817.42696378 0.0040853
2501685.91105671 0.0109093
603790.76117644 0.0227941
183918.61074164 0.0443253
65817.78528359 0.0777883
26923.87319476 0.1336932
11480.52016566 0.2439616
4733.63854167 0.4624424
Pb S
1933.86650155 -0.5555097
800.63844327 -0.4444902
Pb S
283.00753569 -0.4263095
141.1884804 -0.4172424
69.34596812 -0.1564479
Pb S
1.87253594 0.7020669
0.95302455 0.2979330
Pb S
29.88944688 1.0000000
Pb S
5.94869019 1.0000000
Pb S
0.17626806 1.0000000
Pb S
0.07210639 1.0000000
Pb P
63038.71807399 0.0029957
15726.12538812 0.0078802
5568.78046194 0.0229372
2239.89691207 0.0647323
927.88499616 0.1798595
397.23741535 0.3554781
177.41130995 0.3661169
Pb P
38.73000268 -0.7434873
18.75424395 -0.2565126
Pb P
8.94214058 0.8334567
4.33408619 0.1665432
Pb P
1.81051569 0.6921164
0.76030846 0.3078835
Pb P
80.00889305 1.0000000
Pb P
0.18654935 1.0000000
Pb P
0.06157886 1.0000000
Pb D
1286.00453527 0.0125470
383.84880954 0.0760336
145.08002717 0.2610818
61.02254497 0.4112760
27.17767306 0.2390614
Pb D
11.65515947 -0.7088798
5.03437335 -0.2911201
Pb D
1.69406339 1.0000000
Pb D
0.55976636 1.0000000
Pb F
99.86076057 0.0551720
32.14098459 0.2399765
11.64612633 0.4214203
4.03311915 0.2834311
Pb F
1.09555956 1.0000000
end
basis "Bi_DZP-DKH" SPHERICAL
Bi S
16677003.69404605 -0.0020270
2576495.12335172 -0.0054079
620736.96637196 -0.0113908
191858.40211576 -0.0206497
70254.62390737 -0.0380919
28480.24395238 -0.0620823
11750.60198009 -0.1291705
4799.90146902 -0.2032876
1980.31376809 -0.3214204
833.32954976 -0.1731854
312.86265817 -0.0270652
158.09670582 -0.0062207
Bi S
79.01139628 1.0000000
Bi S
32.48395092 1.0000000
Bi S
16.1482773 1.0000000
Bi S
6.41105985 1.0000000
Bi S
1.09907022 1.0000000
Bi S
0.21177426 1.0000000
Bi S
0.09017853 1.0000000
Bi P
77648.86511799 0.0026461
19165.29223933 0.0069423
6527.24277174 0.0213000
2504.62453791 0.0627376
1012.47610098 0.1754652
430.08964295 0.3532667
192.05242255 0.3776419
Bi P
42.48928538 -0.7152490
20.87463323 -0.2847509
Bi P
9.8345717 0.7830235
4.80039969 0.2169764
Bi P
1.98835531 0.6801703
0.85463887 0.3198296
Bi P
87.86788679 1.0000000
Bi P
0.22150389 1.0000000
Bi P
0.07641635 1.0000000
Bi D
1155.85665786 0.0162485
348.41014501 0.0940458
133.12549186 0.2936586
56.51599048 0.4078110
25.14322453 0.1882359
Bi D
11.04820032 -0.7956364
4.85800204 -0.2043635
Bi D
1.74099858 1.0000000
Bi D
0.59813861 1.0000000
Bi F
104.43541922 0.0560576
33.69733498 0.2422342
12.26391379 0.4232019
4.28172791 0.2785061
Bi F
1.15386394 1.0000000
end
basis "Po_DZP-DKH" SPHERICAL
Po S
15993836.50553319 0.0045214
2447844.22095386 0.0121512
585813.15379550 0.0249824
184072.37912718 0.0447814
71685.23786305 0.0703688
30549.69858266 0.1309142
12524.9431319 0.2497917
5027.30598103 0.4624885
Po S
2054.21360577 0.5466253
861.88158249 0.4533746
Po S
326.20409545 0.3576278
165.31230753 0.4238239
82.78915017 0.2185481
Po S
2.58488477 0.5303469
1.1958366 0.4696530
Po S
33.87397353 1.0000000
Po S
6.73579593 1.0000000
Po S
0.24054759 1.0000000
Po S
0.10403145 1.0000000
Po P
71257.88303331 0.0029792
17246.21734469 0.0081915
5813.50460205 0.0249546
2275.3581211 0.0694232
948.91593323 0.1840438
412.3454211 0.3525948
186.48270563 0.3578128
Po P
41.56256394 -0.7339718
20.34641061 -0.2660281
Po P
9.7302743 0.8293106
4.7714805 0.1706893
Po P
2.04761395 0.7009173
0.90094258 0.2990826
Po P
85.24656117 1.0000000
Po P
0.24953845 1.0000000
Po P
0.08417905 1.0000000
Po D
1170.48314455 0.0164683
353.69760866 0.0938660
135.6315301 0.2919899
57.83344954 0.4066195
25.83878969 0.1910561
Po D
11.43547988 -0.7963784
5.07155228 -0.2036215
Po D
1.86141892 1.0000000
Po D
0.65702269 1.0000000
Po F
109.22230809 0.0544214
35.32392154 0.2396687
12.90894264 0.4248350
4.5409259 0.2810747
Po F
1.23246688 1.0000000
end
basis "At_DZP-DKH" SPHERICAL
At S
18822494.94677222 0.0041590
2919484.83122225 0.0113125
702116.65014444 0.0233404
212508.2911474 0.0452446
75215.32847993 0.0791803
30166.4067656 0.1380152
12657.30207093 0.2440469
5218.92156086 0.4547007
At S
2152.62429589 0.5361665
905.23761888 0.4638334
At S
349.24222158 -0.3293375
176.86293455 -0.4284857
88.1247892 -0.2421767
At S
35.74214444 1.0000000
At S
7.13944415 1.0000000
At S
1.30271518 1.0000000
At S
0.27268123 1.0000000
At S
0.12011285 1.0000000
At P
68841.54733327 0.0032387
17375.85894681 0.0080869
6243.13375473 0.0228711
2514.35982528 0.0641510
1034.71013463 0.1783352
440.81408956 0.3539102
196.49244678 0.3694068
At P
43.17165645 -0.7358498
21.05718798 -0.2641501
At P
10.06098458 0.8370692
4.93588052 0.1629307
At P
2.1503001 0.7152256
0.96385078 0.2847743
At P
88.99068696 1.0000000
At P
0.28277246 1.0000000
At P
0.09570244 1.0000000
At D
1255.32821172 0.0154159
378.87707926 0.0884505
145.14141676 0.2821991
61.88556364 0.4072680
27.78155702 0.2066663
At D
12.28157689 -0.7739028
5.46845303 -0.2260971
At D
2.01848567 1.0000000
At D
0.72617411 1.0000000
At F
114.1528881 0.0537503
36.99409937 0.2383648
13.57101585 0.4264169
4.80747454 0.2814679
At F
1.31073925 1.0000000
end
basis "Rn_DZP-DKH" SPHERICAL
Rn S
18681058.46033585 -0.0045201
2862206.39138778 -0.0124675
679369.11421916 -0.0257951
206565.94812377 -0.0481219
76282.33667924 -0.0796155
32032.77215417 -0.1325527
13453.50737892 -0.2607214
5494.01415732 -0.4362055
Rn S
2267.46474705 -0.5632375
962.57397146 -0.3432258
393.64712618 -0.0935366
Rn S
38.10938707 0.9119601
19.92237984 0.0880398
Rn S
195.32262212 1.0000000
Rn S
7.59922189 1.0000000
Rn S
1.41019014 1.0000000
Rn S
0.30918559 1.0000000
Rn S
0.13782779 1.0000000
Rn P
71646.28014869 0.0054182
18421.23857562 0.0125448
6681.88035404 0.0376916
2662.18364255 0.0998321
1083.59303236 0.3030351
459.64938684 0.5414781
Rn P
93.28669143 -0.3306392
45.31174475 -0.6693607
Rn P
10.61760296 0.7103989
5.24378338 0.2747924
2.28539912 0.0148086
Rn P
204.86060702 1.0000000
Rn P
22.24303459 1.0000000
Rn P
0.31780142 1.0000000
Rn P
0.10871457 1.0000000
Rn D
1392.73362167 0.0136704
420.79354028 0.0788378
161.49192583 0.2622161
69.06942033 0.4040044
31.28939346 0.2412711
Rn D
13.73541931 -0.7224480
6.11700623 -0.2775519
Rn D
2.22889327 1.0000000
Rn D
0.81258684 1.0000000
Rn F
119.29471935 0.0536598
38.73571603 0.2387555
14.26026596 0.4342063
5.08459658 0.2733782
Rn F
2.54229829 1.0000000
end
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