/usr/share/nwchem/libraries/dzp is in nwchem-data 6.6+r27746-2.
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3822 3823 3824 3825 3826 3827 3828 3829 | # DZP EMSL Basis Set Exchange Library 6/9/14 1:08 PM
# Elements References
# -------- ----------
# H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar: A. Canal Neto, E. P. Muniz, R. Centoducatte, and F. E. Jorge, Gaussian basis sets for correlated wave functions. Hydrogen, helium, first- and second-row atoms, J. Mol. Struct. (Theochem) 718, 219 (2005).
# K Ca Sc Ti V Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr: G. G. Camiletti, S. F. Machado, and F. E. Jorge, Gaussian Basis Set of Double Zeta Quality for Atoms K Through Kr: Application in DFT Calculations of Molecular Properties, J. Comp. Chem. 29, 2434 (2008).
# 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, Mol. Phys. 108, 1965 (2010).
# 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, J. Mol. Struct. (Theochem) 961, 107 (2010).
# 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, Chem. Phys. Lett. 582, 158 (2013).
#
basis "H_DZP" SPHERICAL
H S
12.98511484 0.0310449
1.95908134 0.2173262
0.44403649 0.7516287
H S
0.11282695 1.0000000
H P
0.80305095 1.0000000
end
basis "He_DZP" SPHERICAL
He S
38.38483920 0.0366871
5.77259177 0.2387262
1.24052238 0.7245867
He S
0.2971651 1.0000000
He P
1.3643371 1.0000000
end
basis "Li_DZP" SPHERICAL
Li S
1467.55426442 0.0007642
219.90959664 0.0059761
48.31061694 0.0323452
12.88488293 0.1273631
3.93833592 0.3253596
1.34077556 0.4539207
Li S
0.49506113 1.0000000
Li S
0.07748193 1.0000000
Li S
0.02917883 1.0000000
Li P
3.24722245 0.0122361
0.64804185 0.0672413
0.16900956 0.2964133
0.05563182 0.7446554
Li P
0.02046171 1.0000000
Li D
0.09489967 1.0000000
end
basis "Be_DZP" SPHERICAL
Be S
2155.37917119 0.0019582
320.28940827 0.0153785
71.05837415 0.0804127
19.48182345 0.2967821
6.17741048 0.6990783
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 0.0146469
1.55456555 0.0856528
0.43041802 0.3351083
0.14301490 0.6983836
Be P
0.05065485 1.0000000
Be D
0.18014085 1.0000000
end
basis "B_DZP" SPHERICAL
B S
3361.97459803 0.0020090
514.78214513 0.0150951
116.96106791 0.0774595
32.34846054 0.2897860
10.25182884 0.7073097
B S
3.65314741 0.7488053
1.43768047 0.2814433
B S
0.33137807 1.0000000
B S
0.10568808 1.0000000
B P
12.21701756 0.0170214
2.64732563 0.1041759
0.75597293 0.3637078
0.24111637 0.6661668
B P
0.08058449 1.0000000
B D
0.39184349 1.0000000
end
basis "C_DZP" SPHERICAL
C S
4949.46032594 0.0019796
758.82582124 0.0148496
172.62336223 0.0762545
47.77742113 0.2872122
15.15140603 0.7104557
C S
5.39400345 0.7530892
2.11083628 0.2771972
C S
0.52460137 1.0000000
C S
0.15964728 1.0000000
C P
18.97219923 0.0179023
4.18721595 0.1114128
1.21388239 0.3744715
0.38698643 0.6513515
C P
0.12406489 1.0000000
C D
0.61467289 1.0000000
end
basis "N_DZP" SPHERICAL
N S
6711.76398036 0.0019838
1029.56088507 0.0148619
234.62552896 0.0761291
65.08616322 0.2866453
20.68134371 0.7108440
N S
7.35948620 0.7617357
2.86133058 0.2682842
N S
0.75772555 1.0000000
N S
0.22278085 1.0000000
N P
26.95312900 0.0185616
6.01777874 0.1165761
1.76062640 0.3816428
0.56064983 0.6412379
N P
0.17525619 1.0000000
N D
0.89591019 1.0000000
end
basis "O_DZP" SPHERICAL
O S
8897.19445619 0.0019631
1365.26538810 0.0147021
311.21828724 0.0753808
86.33353862 0.2850876
27.42841118 0.7128153
O S
9.74740298 0.7638180
3.77109950 0.2663418
O S
1.04455407 1.0000000
O S
0.30382295 1.0000000
O P
34.75998468 0.0199871
7.80757529 0.1258380
2.29096903 0.3939784
0.71677956 0.6260029
O P
0.21323853 1.0000000
O D
1.25011953 1.0000000
end
basis "F_DZP" SPHERICAL
F S
11245.07427445 0.0019652
1726.97986029 0.0146954
394.23268791 0.0752159
109.51217360 0.2845740
34.82122553 0.7132967
F S
12.36386969 0.7685930
4.75744942 0.2615091
F S
1.37400143 1.0000000
F S
0.39513873 1.0000000
F P
43.98233925 0.0210055
9.94469246 0.1318566
2.93406079 0.4006829
0.91404725 0.6160201
F P
0.26664491 1.0000000
F D
1.68949991 1.0000000
end
basis "Ne_DZP" SPHERICAL
Ne S
13940.69029299 0.0019579
2140.70795406 0.0146428
488.75826908 0.0749541
135.80780025 0.2840121
43.19262691 0.7139707
Ne S
15.32362673 0.7714811
5.86934944 0.2586592
Ne S
1.74282774 1.0000000
Ne S
0.49603479 1.0000000
Ne P
54.67816613 0.0216160
12.42660380 0.1355692
3.67954925 0.4046754
1.14375027 0.6098510
Ne P
0.32941012 1.0000000
Ne D
2.22806812 1.0000000
end
basis "Na_DZP" SPHERICAL
Na S
16553.56559413 0.0027214
2940.47406221 0.0168554
767.36004763 0.0691149
251.77588539 0.2358878
82.04765196 0.7555330
Na S
2.83870950 0.3555034
1.07750033 0.6815814
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 0.0042337
40.45539463 0.0292132
13.02408063 0.1194269
4.57131084 0.3142467
1.60351806 0.4611636
0.56247983 0.3057939
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" SPHERICAL
Mg S
29634.03849710 0.0018130
4504.26738086 0.0137049
1038.91119479 0.0690883
297.14294180 0.2627833
97.64415398 0.7344087
Mg S
1.64696724 0.6801814
0.67317558 0.3516665
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 0.0025759
67.06269532 0.0210321
20.56701130 0.0976008
7.30763410 0.2710002
2.78482554 0.4323721
1.10006315 0.3758804
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" SPHERICAL
Al S
46957.58327979 0.0015703
7131.42935572 0.0119042
1639.24405227 0.0610161
461.98153874 0.2451772
147.56803267 0.7582762
Al S
2.65572629 0.5927811
1.02794270 0.4462289
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 0.0023667
86.61876761 0.0192106
26.95939792 0.0896040
9.71901810 0.2567865
3.76228615 0.4314477
1.50816965 0.3915882
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" SPHERICAL
Si S
57033.21769392 0.0016413
8843.88412077 0.0120125
2088.57468603 0.0594785
598.43608250 0.2391345
191.07432559 0.7643206
Si S
3.47202417 0.5666502
1.33983034 0.4730961
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 0.0014933
140.08844965 0.0125126
43.72342316 0.0630620
15.68022991 0.2080941
6.05325924 0.4183576
2.40938438 0.4677440
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" SPHERICAL
P S
77974.00242233 0.0015060
12089.93860872 0.0110679
2831.85299912 0.0559195
797.63499030 0.2332770
250.54065009 0.7733769
P S
4.43394852 0.5354613
1.70489853 0.5048774
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 0.0014804
164.42668315 0.0123353
51.58304203 0.0622774
18.54027938 0.2076459
7.14211567 0.4234404
2.83069610 0.4637070
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" SPHERICAL
S S
88298.52965731 0.0015640
13783.75049251 0.0113393
3273.99080251 0.0560386
933.93904998 0.2316597
294.47682844 0.7741969
S S
5.19930244 0.5358943
2.03425969 0.5030658
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
759.75242297 0.0015904
180.00565026 0.0130592
56.73558346 0.0654404
20.36270362 0.2174699
7.76216777 0.4371852
3.02062956 0.4418127
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" SPHERICAL
Cl S
123346.03036366 0.0013572
18844.37101427 0.0102545
4312.76103972 0.0537140
1191.77811092 0.2298056
371.56406092 0.7788163
Cl S
48.83240417 0.7235887
19.99833925 0.3057928
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
815.25967510 0.0017567
191.38682651 0.0146465
59.88017268 0.0732173
21.46131474 0.2363034
8.19423000 0.4495731
3.20715125 0.4055242
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" SPHERICAL
Ar S
138627.59405679 0.0013713
21212.21893190 0.0103320
4867.08226473 0.0539172
1348.69501423 0.2299593
421.63085977 0.7783123
Ar S
55.71724761 0.7173480
22.88371461 0.3122166
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 0.0017160
219.63986953 0.0145761
68.42876014 0.0735443
24.55728205 0.2375366
9.43530598 0.4505252
3.73443328 0.4009188
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" SPHERICAL
K S
354250.51554442 0.0003827
53854.37640454 0.0029362
12361.19110871 0.0151389
3445.95204884 0.0668451
1075.55466155 0.2434180
366.57318135 0.7481101
K S
53.90620772 -0.7932799
22.59813682 -0.2298728
K S
0.82054226 0.5306917
0.31988212 0.5085753
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 0.0014962
452.89552783 0.0133341
141.6424159 0.0740685
51.27822241 0.2843522
20.33849456 0.7221256
K P
8.46124031 0.6203083
3.6236219 0.4307939
K P
0.54002461 0.7071900
0.20222716 0.3539737
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" SPHERICAL
Ca S
342873.48752706 0.0004017
51476.52750584 0.0031151
11677.47597575 0.0165030
3249.0785960 0.0708977
1023.59401338 0.2559086
353.94550955 0.7321324
Ca S
132.58158776 0.5188182
53.05210998 0.5188182
Ca S
1.0075480 -0.5038418
0.4137819 -0.5313941
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 0.0006882
476.97128318 0.0058200
154.07909113 0.0303410
57.6177515 0.1116679
23.4155108 0.2810741
9.90679919 0.4362802
4.29506216 0.3147222
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" SPHERICAL
Sc S
348385.79779449 0.0004500
53583.94703134 0.0033336
12685.05430358 0.0164749
3673.88065898 0.0681367
1172.4891803 0.2489506
400.60028979 0.7408519
Sc S
9.39283333 0.4636161
4.02702612 0.5681398
Sc S
1.16226225 -0.5228683
0.4751614 -0.5127462
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 0.0053155
448.06013767 0.0445340
144.48948326 0.2278196
54.13051204 0.7982670
Sc P
22.17183477 0.4464205
9.5579458 0.6044957
Sc P
1.74066243 0.3797023
0.71936088 0.5305983
0.28209021 0.1951041
Sc P
4.26468621 1.0000000
Sc P
1.7415200 1.0000000
Sc P
0.0844900 1.0000000
Sc D
18.63714134 0.0346509
4.95612503 0.1744059
1.60515624 0.4308630
0.52498413 0.5908583
Sc D
0.1538763 1.0000000
Sc F
0.2943800 1.0000000
end
basis "Ti_DZP" SPHERICAL
Ti S
385301.69222246 0.0004500
59323.92771893 0.0033267
14064.84349879 0.0164129
4078.78819893 0.0677857
1301.34456649 0.2485329
444.0283981 0.7415843
Ti S
10.45013887 0.4711618
4.50423795 0.5603072
Ti S
1.32354166 -0.5272656
0.5377499 -0.5088105
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 0.0006515
610.20486959 0.0055017
196.91625188 0.0291583
73.26951196 0.1098638
29.64909197 0.2825141
12.56236395 0.4392417
5.4875197 0.3107111
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 0.0326225
6.28634039 0.1692813
2.05836409 0.4308677
0.68233509 0.5910826
Ti D
0.20474386 1.0000000
Ti F
0.5744190 1.0000000
end
basis "V_DZP" SPHERICAL
V S
300243.5282168 0.0005213
45865.36098526 0.0039190
10717.01930773 0.0196347
3097.70895578 0.0793716
1013.27602577 0.2671050
360.63861931 0.7116350
V S
8.12492165 0.7159900
3.78649374 0.3059472
V S
1.38924563 -0.5912163
0.56410864 -0.4441491
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 0.0052958
549.29504282 0.0443166
177.64297522 0.2269866
66.76800057 0.7987560
V P
27.44610493 0.4472250
11.89730461 0.6030966
V P
2.2151851 0.3961830
0.92000779 0.5219375
0.36090735 0.1863091
V P
5.3427376 1.0000000
V P
2.0287000 1.0000000
V P
0.1056510 1.0000000
V D
27.21846737 0.0324343
7.41444401 0.1700306
2.45041106 0.4329108
0.82085251 0.5859401
V D
0.24846171 1.0000000
V F
0.85941251 1.0000000
end
basis "Cr_DZP" SPHERICAL
Cr S
295305.79172778 0.0005975
45679.13454205 0.0043891
10927.77119576 0.0210977
3260.3423877 0.0815071
1096.27407065 0.2669212
396.52413555 0.7076262
Cr S
9.21553258 0.7076899
4.28774028 0.3146966
Cr S
1.53482137 0.5962173
0.60335602 0.4415058
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 0.0053886
569.41244296 0.0450544
184.0208108 0.2295383
69.20892323 0.7961354
Cr P
28.47161846 0.4610289
12.37007797 0.5894249
Cr P
2.32929193 0.4247771
0.96054612 0.5061222
0.37038137 0.1754156
Cr P
5.56401765 1.0000000
Cr P
2.2406260 1.0000000
Cr P
0.1991350 1.0000000
Cr D
27.28337622 0.0374429
7.39588097 0.1897599
2.41167687 0.4470294
0.77550289 0.5662688
Cr D
0.21510596 1.0000000
Cr F
1.1958954 1.0000000
end
basis "Mn_DZP" SPHERICAL
Mn S
324800.75972747 0.0005347
49815.77801891 0.0039930
11669.72288637 0.0199778
3372.90759039 0.0805874
1100.30092567 0.2711435
390.38958292 0.7071575
Mn S
148.51623731 -0.6127940
59.3163868 -0.4232863
Mn S
2.6848903 -0.1719646
1.27646153 -0.8418945
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 0.0009638
760.26549002 0.0075998
254.98860271 0.0379620
96.96252067 0.1419372
39.54225349 0.3689039
16.82306604 0.5708001
Mn P
1.21456621 0.7491240
0.47261267 0.3029900
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 0.0501872
8.21420598 0.2540780
2.84217461 0.5019955
1.31838075 0.3844263
Mn D
0.50595015 1.0000000
Mn F
0.28451417 1.0000000
end
basis "Fe_DZP" SPHERICAL
Fe S
461969.33436343 0.0004899
71367.29880372 0.0036083
16995.41790911 0.0175940
4979.71605444 0.0712335
1614.97097122 0.2523245
558.95466347 0.7339369
Fe S
12.96164017 0.5998291
5.91093416 0.4271243
Fe S
1.96904431 -0.5715349
0.7820924 -0.4658774
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 0.0050055
759.98366038 0.0423674
244.90627978 0.2220015
91.6279479 0.8044702
Fe P
37.53954608 0.4429414
16.27048292 0.6072588
Fe P
3.05279952 0.4081149
1.26717782 0.5154507
0.49472366 0.1811243
Fe P
7.31677823 1.0000000
Fe P
2.6875400 1.0000000
Fe P
0.1355900 1.0000000
Fe D
38.42700436 0.0339693
10.64378208 0.1800028
3.55993588 0.4426559
1.19429286 0.5679553
Fe D
0.35558573 1.0000000
Fe F
1.81278863 1.0000000
end
basis "Co_DZP" SPHERICAL
Co S
448380.14006766 0.0005515
69769.92223549 0.0040587
16844.17376055 0.0189092
5083.02833312 0.0742243
1712.78359629 0.2438787
604.73519235 0.7368687
Co S
24.66582741 0.2653317
11.06275352 0.7566751
Co S
1.6965260 -0.7598665
0.68193543 -0.2682420
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 0.0071779
712.48572115 0.0509921
252.59084804 0.2268398
100.02717572 0.7890695
Co P
41.13209676 0.4335720
16.99657041 0.6216773
Co P
2.48622373 0.6987635
1.31214794 -0.4396359
1.0043108 0.8195801
Co P
7.10134495 1.0000000
Co P
0.64860598 1.0000000
Co P
0.1777710 1.0000000
Co D
42.58404959 0.0342792
11.8281787 0.1825227
3.96375702 0.4454536
1.32459918 0.5638653
Co D
0.39003636 1.0000000
Co F
2.01884004 1.0000000
end
basis "Ni_DZP" SPHERICAL
Ni S
278445.52629893 0.0007714
43814.51496987 0.0055020
10779.72874652 0.0250448
3349.70776777 0.0904198
1165.8551803 0.2794099
432.73087195 0.6844395
Ni S
169.00438146 -0.6422390
68.86085546 -0.3914138
Ni S
1.37165661 -0.8088831
0.59655145 -0.2111987
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 0.0062548
803.70337636 0.0476408
275.18580532 0.2241044
106.71205448 0.7958288
Ni P
43.92347484 0.4442091
18.83048854 0.6072554
Ni P
3.55118605 0.4294584
1.47719646 0.5055800
0.57755008 0.1678156
Ni P
8.36725652 1.0000000
Ni P
2.89625879 1.0000000
Ni P
0.15816057 1.0000000
Ni D
46.31330852 0.0355571
12.96343937 0.1870017
4.3928259 0.4455381
1.48994649 0.5568191
Ni D
0.44101185 1.0000000
Ni F
2.52918191 1.0000000
end
basis "Cu_DZP" SPHERICAL
Cu S
313264.6119074 0.0059246
48393.25759622 0.0429880
11479.79228103 0.2143169
3384.61235923 0.8052334
Cu S
1137.39282708 0.3124483
420.02333059 0.7239332
Cu S
168.05814116 -0.6309119
71.30338905 -0.4002265
Cu S
23.99018809 0.4260083
10.50131154 0.6036532
Cu S
1.80862431 -0.7823444
0.75612558 -0.2417990
Cu S
3.8198126 1.0000000
Cu S
0.10764031 1.0000000
Cu S
0.04158824 1.0000000
Cu P
3873.61970711 0.0050170
920.27679219 0.0425634
296.24894498 0.2231937
110.87219054 0.8033346
Cu P
45.50466094 0.4561220
19.80898271 0.5939841
Cu P
3.78063332 0.4385879
1.56185032 0.4996083
0.59880914 0.1672822
Cu P
8.93265073 1.0000000
Cu P
3.4835000 1.0000000
Cu P
0.2951600 1.0000000
Cu D
47.14549465 0.0385806
13.10955824 0.1999798
4.35166717 0.4566326
1.4074933 0.5461707
Cu D
0.37796216 1.0000000
Cu F
2.64507327 1.0000000
end
basis "Zn_DZP" SPHERICAL
Zn S
373543.86255941 0.0005783
56727.57997819 0.0043933
13081.12588764 0.0224525
3727.98735975 0.0907411
1216.59937055 0.2912870
440.73888329 0.6783863
Zn S
174.73329022 -0.6696435
74.15647022 -0.3600951
Zn S
1.84961148 -0.7368380
0.81427863 -0.2873397
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 0.0054676
1099.50095028 0.0441856
366.25802877 0.2210996
141.17061157 0.8012277
Zn P
58.80659616 0.4152712
25.59664299 0.6334214
Zn P
4.68101497 0.3858329
1.92238841 0.5255643
0.73612619 0.1976708
Zn P
11.45429373 1.0000000
Zn P
0.2143200 1.0000000
Zn P
0.0551800 1.0000000
Zn D
55.87645811 0.0352039
15.69118013 0.1884786
5.2910676 0.4498730
1.7671959 0.5545670
Zn D
0.51172438 1.0000000
Zn F
3.13654236 1.0000000
end
basis "Ga_DZP" SPHERICAL
Ga S
910353.71566745 0.0004026
137852.17230261 0.0031038
31689.11897479 0.0159605
8933.43848474 0.0689174
2835.20534705 0.2459598
981.49047826 0.7426186
Ga S
147.90538165 -0.7847881
62.90174922 -0.2381596
Ga S
3.22249134 -0.5185809
1.29005447 -0.5186391
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 0.0015489
1199.59676171 0.0137000
378.55809198 0.0759438
138.6311328 0.2898546
55.82951628 0.7136929
Ga P
4.52204516 0.4299431
1.90947137 0.5061829
0.7877327 0.1594498
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 0.0345432
17.74323225 0.1860918
6.07340934 0.4473261
2.08773021 0.5524037
Ga D
0.64478621 1.0000000
Ga F
3.6411400 1.0000000
end
basis "Ge_DZP" SPHERICAL
Ge S
983203.98198795 0.0004046
148884.75624252 0.0031067
34226.12267125 0.0159724
9643.77118891 0.0686540
3059.33370497 0.2463945
1059.26353125 0.7423853
Ge S
160.078452555 -0.7717024
68.36825261 -0.2520336
Ge S
3.55246244 -0.5029727
1.45386316 -0.5325354
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 0.0015201
1320.14433527 0.0133668
417.83180472 0.0741983
153.2691709 0.2860640
61.75605884 0.7183164
Ge P
4.96267131 0.4346393
2.09154137 0.5121139
0.86464919 0.1462544
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 0.0325439
20.44466131 0.1792879
7.06830748 0.4430766
2.4783720 0.5573665
Ge D
0.7954723 1.0000000
Ge F
4.2249999 1.0000000
end
basis "As_DZP" SPHERICAL
As S
1029997.20547216 0.0004263
156438.88003412 0.0032086
36755.77538087 0.0160466
10502.1169947 0.0680073
3349.89175211 0.2456002
1158.44597084 0.7434092
As S
173.9347473 -0.7559125
74.36392944 -0.2688186
As S
3.88935992 -0.4910685
1.62509534 -0.5428292
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 0.0015038
1440.86559375 0.0131881
457.19417962 0.0731624
168.09304172 0.2834120
67.84567362 0.7211646
As P
5.42841765 0.4372285
2.28268099 0.5193862
0.93339038 0.1344987
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 0.0307958
23.27490232 0.1735061
8.10185523 0.4397641
2.88525653 0.5616390
As D
0.95168913 1.0000000
As F
4.82609999 1.0000000
end
basis "Se_DZP" SPHERICAL
Se S
1049998.04204542 0.0004570
161630.79841489 0.0033362
38887.49430728 0.0162278
11268.77322584 0.0678358
3616.55267796 0.2456942
1252.21939988 0.7430686
Se S
187.83397379 -0.7426890
80.44824572 -0.2827645
Se S
4.23990611 0.4811384
1.80536551 0.5513026
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 0.0014617
1603.35232898 0.0127626
510.45029628 0.0708967
187.96529793 0.2780739
75.79015356 0.7275754
Se P
5.91418189 0.4445375
2.45386524 0.5294920
0.95515833 0.1168455
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 0.0293535
26.24594492 0.1683310
9.20573794 0.4360411
3.32069345 0.5662714
Se D
1.1188873 1.0000000
Se F
5.44729999 1.0000000
end
basis "Br_DZP" SPHERICAL
Br S
1051997.6346165 0.0004559
160557.00375084 0.0033928
38450.98592697 0.0163547
11148.85226025 0.0689987
3587.74099199 0.2437250
1245.06968323 0.7438933
Br S
186.63699074 0.8019787
78.96784246 0.2200055
Br S
4.56722273 0.4835782
1.97688079 0.5477094
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
6378.04051122 0.0015309
1492.18000867 0.0136029
467.96186092 0.0764931
170.05324693 0.2939343
68.05309742 0.7106452
Br P
5.48298454 -0.5204184
2.30791553 -0.4908821
0.81091536 -0.0698598
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 0.0256775
30.97428393 0.1547964
10.87211425 0.4266913
3.94049349 0.5843456
Br D
1.33800926 1.0000000
Br F
6.14739999 1.0000000
end
basis "Kr_DZP" SPHERICAL
Kr S
1088999.64660512 0.0005085
171334.63717017 0.0035293
42719.50564953 0.0165738
12563.3679808 0.0683262
4067.28823097 0.2471856
1414.77675441 0.7406236
Kr S
214.10770322 -0.7267017
92.22255109 -0.2993359
Kr S
4.99624235 0.4635256
2.19789239 0.5664219
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 0.0007777
1765.11352791 0.0068307
560.41896165 0.0380519
206.18913192 0.1485768
83.21283239 0.3835574
35.67589014 0.5510008
Kr P
2.74653294 -0.8700932
0.9826322 -0.1690551
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 0.0270328
32.5753767 0.1602438
11.54346822 0.4306893
4.24777292 0.5731356
Kr D
1.47526792 1.0000000
Kr F
6.8850900 1.0000000
end
basis "Rb_DZP" SPHERICAL
Rb S
1859845.62249653 0.0001617
399767.33236293 0.0006632
129981.60190099 0.0024667
43888.81234517 0.0088319
16948.64772502 0.0251634
6745.99144379 0.0819038
2522.13942600 0.2664831
945.94756233 0.6966664
Rb S
369.80598607 -0.5683129
149.61856848 -0.4677344
Rb S
23.08401270 0.8229065
10.43332922 0.1943568
Rb S
4.07341931 0.6646984
1.70482127 0.3661939
Rb S
0.61211073 0.5727680
0.23036850 0.4688838
Rb S
48.97818738 1.0000000
Rb S
0.03343568 1.0000000
Rb S
0.01645421 1.0000000
Rb P
10099.59691782 0.0004519
2546.23067176 0.0034794
925.06517275 0.0140956
397.88271556 0.0524649
165.84753682 0.1803093
70.35232805 0.4045797
30.97285152 0.4847367
Rb P
6.05296461 -0.5903062
2.64070479 -0.4596488
Rb P
0.94994393 0.2678029
0.42776265 0.5285648
0.17378916 0.3036585
Rb P
13.76306510 1.0000000
Rb P
0.0279673 1.0000000
Rb P
0.0116646 1.0000000
Rb D
131.46467706 0.0198820
38.15733940 0.1236466
13.51808400 0.3539931
4.98610435 0.4984333
1.74825724 0.2746774
Rb D
0.3776200 1.0000000
end
basis "Sr_DZP" SPHERICAL
Sr S
2202166.8060046 0.0001473
448780.72606811 0.0006885
140032.81276699 0.0024250
50340.79398131 0.0079973
19098.16420792 0.0257323
7332.10944150 0.0831738
2758.82083157 0.2647933
1042.56515337 0.6968605
Sr S
407.84843708 -0.5553060
164.08625052 -0.4813344
Sr S
25.69930424 -0.8187003
10.89346673 -0.2018231
Sr S
4.74641549 -0.6102774
1.86190920 -0.4272436
Sr S
1.13394619 0.2333623
0.26412427 0.8240825
Sr S
54.65664999 1.0000000
Sr S
0.54067548 1.0000000
Sr S
0.03752852 1.0000000
Sr P
11898.71582922 0.0003961
2945.67627303 0.0029748
1071.35493445 0.0130658
437.31547128 0.0522163
181.31852092 0.1759431
77.31494654 0.3998115
34.33125646 0.4927216
Sr P
6.78187489 -0.5798877
2.99708547 -0.4688406
Sr P
1.16524126 0.2386464
0.50869254 0.6001304
0.20199715 0.2532944
Sr P
15.52810758 1.0000000
Sr P
0.0211686 1.0000000
Sr P
0.0446713 1.0000000
Sr D
142.00731665 0.0197693
41.21237723 0.1239851
14.66749620 0.3547720
5.47304102 0.4970154
1.95812282 0.2696556
Sr D
0.3689100 1.0000000
end
basis "Y_DZP" SPHERICAL
Y S
2522141.32102006 0.0001405
449156.29990432 0.0007042
151720.17645280 0.0022358
51855.44354044 0.0084949
18689.66232941 0.0289842
6875.55030786 0.0942342
2648.45220711 0.2716678
1049.98073700 0.6763420
Y S
422.47853745 -0.5562649
172.31836708 -0.4793209
Y S
28.30120953 0.7875807
12.66764116 0.2326114
Y S
5.05894842 0.6570388
2.20390257 0.3714247
Y S
0.72735771 0.6209857
0.30401193 0.4115106
Y S
60.56530325 1.0000000
Y S
0.01355997 1.0000000
Y S
0.04783584 1.0000000
Y P
11876.25484875 0.0004101
3268.55095104 0.0026385
1184.41460471 0.0128645
463.14383928 0.0543221
191.23738154 0.1761082
82.85996128 0.3950317
37.20448645 0.4940952
Y P
7.65640110 -0.5502364
3.40344219 -0.4982912
Y P
1.28293110 0.2678660
0.54825392 0.6170031
0.21437241 0.2056974
Y P
17.15817260 1.0000000
Y P
0.0178200 1.0000000
Y P
0.4114200 1.0000000
Y D
251.01056821 0.0073688
74.41352333 0.0539203
27.67867091 0.1959442
11.29136346 0.3917081
4.69433459 0.4257893
1.90670194 0.1860974
Y D
0.54823392 1.0000000
Y D
0.15142201 1.0000000
Y F
0.1850700 1.0000000
end
basis "Zr_DZP" SPHERICAL
Zr S
2781833.79470530 0.0001440
521679.34119767 0.0006053
232681.77811491 0.0011999
84513.10458904 0.0054874
29766.90252877 0.0199396
10124.32159146 0.0071557
3460.36991890 0.2630469
1252.98274981 0.7129598
Zr S
481.43559062 0.5422487
193.90606984 0.4944225
Zr S
34.55236991 0.7066382
15.72702912 0.3170771
Zr S
6.01921411 -0.5153841
2.73304983 -0.5126827
Zr S
0.88207095 0.5221272
0.38257380 0.5091368
Zr S
69.95003434 1.0000000
Zr S
0.13288936 1.0000000
Zr S
0.03858854 1.0000000
Zr P
17433.18339499 0.0002401
4092.13852624 0.0021755
1287.90645575 0.0130562
470.78808171 0.0576330
188.77750638 0.1897878
80.09750330 0.4119968
35.70749649 0.4661366
Zr P
7.47181964 -0.5897664
3.45589878 -0.4536694
Zr P
1.43859577 0.2732449
0.62829833 0.6077817
0.24642987 0.2087745
Zr P
16.30509695 1.0000000
Zr P
1.55834023 1.0000000
Zr P
0.0870395 1.0000000
Zr D
478.61550846 0.0026809
116.66667146 0.0307124
40.39157075 0.1408968
15.90768908 0.3504707
6.44422978 0.4661247
2.56789898 0.2591804
Zr D
0.72924748 1.0000000
Zr D
0.20333759 1.0000000
Zr F
0.3338870 1.0000000
end
basis "Nb_DZP" SPHERICAL
Nb S
2647176.52961261 0.0001420
457294.91677157 0.0006965
163476.25654884 0.0021344
53454.99965722 0.0088203
19717.46414062 0.0266785
7472.76290862 0.0900337
2777.02236973 0.2776042
1071.12539495 0.6777975
Nb S
433.30069504 -0.5773802
181.27990015 -0.4560205
Nb S
31.19877739 -0.7830490
14.07550304 -0.2370418
Nb S
5.26274186 0.7743794
2.03680408 0.2548741
Nb S
0.92666870 -0.6291085
0.35374866 -0.4099131
Nb S
68.14488671 1.0000000
Nb S
0.02058958 1.0000000
Nb S
0.06620541 1.0000000
Nb P
11862.75549267 0.0004949
3473.05312761 0.0025003
1446.43343522 0.0101345
570.72778707 0.0484772
226.76583688 0.1701731
95.82006725 0.3956982
42.43191005 0.5065456
Nb P
8.55451234 -0.5710344
3.85495624 -0.4756632
Nb P
1.50345997 0.3074383
0.67659991 0.5601860
0.27911404 0.2226797
Nb P
19.33951570 1.0000000
Nb P
0.5918400 1.0000000
Nb P
0.1775085 1.0000000
Nb D
230.52753252 0.0113067
68.52379287 0.0781037
25.17510472 0.2629851
9.99418518 0.4576387
4.00263031 0.3765132
1.39615190 0.0756337
Nb D
0.47770553 1.0000000
Nb D
0.14110582 1.0000000
Nb F
0.3993900 1.0000000
end
basis "Mo_DZP" SPHERICAL
Mo S
2026740.93270436 0.0002054
385350.13660691 0.0009909
153625.66721216 0.0018066
59074.20718888 0.0092070
18926.56514348 0.0353847
7049.14637847 0.0983889
2906.91027690 0.2655676
1178.86891419 0.6716061
Mo S
474.86543884 -0.5665737
193.86208674 -0.4688159
Mo S
30.71565223 0.8305056
13.28375914 0.1880982
Mo S
5.34972340 -0.8319494
1.94467514 -0.1949974
Mo S
0.97320128 0.6671042
0.32190830 0.3817182
Mo S
67.20988264 1.0000000
Mo S
0.11839548 1.0000000
Mo S
0.05367322 1.0000000
Mo P
10863.79422813 0.0005857
3502.46398906 0.0024984
1407.06428281 0.0122642
537.92230924 0.0560023
218.13351373 0.1821024
94.27836494 0.4002267
42.46633549 0.4829808
Mo P
8.99486403 -0.5715606
4.14037062 -0.4727762
Mo P
1.68330345 0.3106762
0.73126273 0.5837458
0.29053886 0.1974514
Mo P
19.68084827 1.0000000
Mo P
0.1304384 1.0000000
Mo P
0.0436769 1.0000000
Mo D
260.39682190 0.0100876
77.45152306 0.0710367
28.75103788 0.2439763
11.59423933 0.4441040
4.72142252 0.3954699
1.73212087 0.0926277
Mo D
0.60240161 1.0000000
Mo D
0.17860241 1.0000000
Mo F
0.5145300 1.0000000
end
basis "Tc_DZP" SPHERICAL
Tc S
3139140.58329154 0.0001410
471413.15022019 0.0009780
134107.31504760 0.0033859
47768.66748258 0.0111172
19077.18434790 0.0296886
8079.99070544 0.0888882
3181.02170447 0.2727774
1254.46032689 0.6760827
Tc S
506.76289354 -0.5601563
208.46449746 -0.4747429
Tc S
34.50365584 0.7998762
15.39684880 0.2196282
Tc S
6.03229864 0.7609767
2.55364434 0.2639898
Tc S
1.00908096 -0.7147944
0.40046708 -0.3171998
Tc S
75.61155803 1.0000000
Tc S
0.11504476 1.0000000
Tc S
0.04395116 1.0000000
Tc P
9979.24250068 0.0007500
3311.96217816 0.0031919
1350.82336528 0.0138649
567.93484283 0.0528012
245.71245663 0.1683577
108.61018931 0.3865120
49.71906877 0.5046868
Tc P
10.41529855 -0.5402685
4.73642591 -0.5057795
Tc P
1.94441230 0.2590562
0.86834586 0.6122545
0.34281339 0.2154442
Tc P
23.51988606 1.0000000
Tc P
0.0425767 1.0000000
Tc P
0.1389033 1.0000000
Tc D
286.55790423 0.0093667
85.35792135 0.0673009
31.66763425 0.2366745
12.80454523 0.4414239
5.23836944 0.4023222
1.94981292 0.0966424
Tc D
0.68241228 1.0000000
Tc D
0.20266464 1.0000000
Tc F
0.6071995 1.0000000
end
basis "Ru_DZP" SPHERICAL
Ru S
2570066.23316876 0.0001583
577076.69794713 0.0006519
181502.48207906 0.0023985
66068.82154153 0.0075781
24801.43317493 0.0263596
9041.30244477 0.0902362
3363.11647309 0.2730352
1300.20521635 0.6825892
Ru S
520.50863144 -0.5675110
215.13298610 -0.4669399
Ru S
36.04117033 -0.8018517
15.95457817 -0.2178993
Ru S
6.71765862 0.7016564
3.03211453 0.3227787
Ru S
1.10914852 -0.7029082
0.43992490 -0.3298316
Ru S
77.65227294 1.0000000
Ru S
0.06945088 1.0000000
Ru S
0.02011606 1.0000000
Ru P
16364.03439489 0.0003864
4506.83503512 0.0023662
1674.42461191 0.0114777
652.77539067 0.0494432
271.51580069 0.1619785
118.46396693 0.3816973
53.34197249 0.5217544
Ru P
10.79237836 -0.5586705
4.89847969 -0.4874147
Ru P
2.01205310 0.3058709
0.89971331 0.5735646
0.36562072 0.2099935
Ru P
24.55158335 1.0000000
Ru P
0.1873176 1.0000000
Ru P
0.0367516 1.0000000
Ru D
307.23219126 0.0093355
89.82535922 0.0692149
33.07620495 0.2453500
13.26497302 0.4532671
5.40651589 0.3921999
1.95045933 0.0823409
Ru D
0.69272513 1.0000000
Ru D
0.20646625 1.0000000
Ru F
0.5232228 1.0000000
end
basis "Rh_DZP" SPHERICAL
Rh S
2884494.52746520 -0.0001575
612988.02186496 -0.0006865
191321.96339931 -0.0026185
62425.39919639 -0.0103427
22335.36741682 -0.0313940
9195.22202160 -0.0862748
3692.45539385 -0.2648224
1443.18320881 -0.6858689
Rh S
574.40819194 -0.5539403
235.33590577 -0.4813323
Rh S
40.85742283 -0.7521269
18.95264617 -0.2683273
Rh S
7.09096883 0.7045297
3.01038734 0.3235890
Rh S
1.25103809 -0.6912580
0.47580076 -0.3451373
Rh S
86.25195573 1.0000000
Rh S
0.02335264 1.0000000
Rh S
0.07560319 1.0000000
Rh P
14901.71175880 0.0004044
5157.10885949 0.0019284
1785.50730789 0.0120639
657.45709113 0.0539796
267.73468475 0.1753225
117.41239574 0.3873786
54.07969456 0.4995301
Rh P
11.19976479 -0.5692367
5.14312963 -0.4753990
Rh P
2.09026925 0.3443048
0.93509606 0.5532443
0.38381066 0.1917205
Rh P
25.37897575 1.0000000
Rh P
0.1825727 1.0000000
Rh P
0.0457754 1.0000000
Rh D
330.54861639 0.0089838
97.17152848 0.0670525
35.76747261 0.2423561
14.34976536 0.4534074
5.88321427 0.3932458
2.16097749 0.0834964
Rh D
0.77506824 1.0000000
Rh D
0.23653019 1.0000000
Rh F
0.7482000 1.0000000
end
basis "Pd_DZP" SPHERICAL
Pd S
11437261.29738128 -0.0000541
2265314.71775539 -0.0002977
674634.30277928 -0.0008502
289534.11730807 -0.0025894
109592.16018243 -0.0076746
50658.86455336 -0.0199140
18996.48708033 -0.0826723
6957.42123918 -0.2535416
2708.31520512 -0.7091924
Pd S
1099.10890027 -0.4251586
470.51477198 -0.6060142
Pd S
75.90415599 -0.3630796
36.51735265 -0.6590607
Pd S
7.30877612 -0.8001196
3.25187455 -0.2195095
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 0.0003250
4901.35138242 0.0025474
1777.98399672 0.0116861
695.74581149 0.0513639
283.78879457 0.1731098
122.48409202 0.3935534
55.58056926 0.4992533
Pd P
11.98636537 -0.5493334
5.54235795 -0.4948079
Pd P
2.08726620 0.4139406
0.89761184 0.5380567
0.33379647 0.1419057
Pd P
26.03274009 1.0000000
Pd P
0.4168982 1.0000000
Pd P
0.0864491 1.0000000
Pd D
479.03528606 0.0049787
130.51042484 0.0471359
45.84800195 0.2014848
17.97001702 0.4356330
7.22102435 0.4435415
2.64184313 0.1131532
Pd D
0.92641479 1.0000000
Pd D
0.25806916 1.0000000
Pd F
0.8520000 1.0000000
end
basis "Ag_DZP" SPHERICAL
Ag S
3713780.93731371 0.0001624
693919.36932121 0.0006666
325428.41692311 0.0012825
108507.37924419 0.0071838
35632.30853931 0.0255976
12903.57882805 0.0835421
4831.40008671 0.2600216
1845.61768816 0.7015787
Ag S
718.00322237 0.5243017
286.99682342 0.5130316
Ag S
50.29630614 -0.7031521
22.61657703 -0.3214447
Ag S
8.20344403 -0.6496322
3.65648408 -0.3775676
Ag S
1.37917434 0.7365024
0.52675923 0.2966191
Ag S
114.05973484 1.0000000
Ag S
0.08007237 1.0000000
Ag S
0.02788400 1.0000000
Ag P
28319.42450268 0.0002285
6655.02505642 0.0019107
2437.30247442 0.0078146
1009.97998425 0.0345075
405.00663336 0.1344587
170.15095307 0.3595054
75.26381552 0.5795538
Ag P
14.61985357 -0.4860758
6.53591414 -0.5616686
Ag P
2.56909194 0.3028752
1.11621078 0.6017384
0.43332979 0.1852903
Ag P
34.26698056 1.0000000
Ag P
0.1449000 1.0000000
Ag P
0.0366000 1.0000000
Ag D
604.18753461 0.0036601
153.74364114 0.0398518
53.05008733 0.1817893
20.66218462 0.4213288
8.30213463 0.4600801
3.17178204 0.1350019
Ag D
1.14701380 1.0000000
Ag D
0.33944361 1.0000000
Ag F
1.0994630 1.0000000
end
basis "Cd_DZP" SPHERICAL
Cd S
3155085.06499701 0.0001752
660772.13404554 0.0006444
238881.52916262 0.0023638
72735.34368029 0.0106112
25634.52007250 0.0310378
10770.27869179 0.0818476
4342.40753979 0.2617549
1666.21187517 0.6934402
Cd S
658.00203774 -0.5518254
267.56312988 -0.4840379
Cd S
43.01025151 0.8227696
18.37219288 0.1970478
Cd S
7.96434968 -0.7755634
3.25845033 -0.2503104
Cd S
1.50350750 0.6054140
0.46229911 0.4528809
Cd S
93.94102375 1.0000000
Cd S
0.35164902 1.0000000
Cd S
0.06345509 1.0000000
Cd P
21673.06753263 0.0003598
5265.80274347 0.0028456
1866.01888067 0.0130392
780.79150255 0.0471270
342.85791348 0.1533728
151.41508768 0.3753092
68.90567073 0.5327034
Cd P
14.22473306 -0.5374181
6.63269547 -0.5058996
Cd P
2.89148336 0.2574621
1.32796742 0.5923667
0.54612318 0.2346706
Cd P
32.29473415 1.0000000
Cd P
0.0502000 1.0000000
Cd P
0.3350000 1.0000000
Cd D
391.08708949 0.0087574
116.56058610 0.0649429
43.34170961 0.2374537
17.62374763 0.4489949
7.39389667 0.3942989
2.79634646 0.0869358
Cd D
1.05431969 1.0000000
Cd D
0.34517249 1.0000000
Cd F
1.1178000 1.0000000
end
basis "In_DZP" SPHERICAL
In S
3911387.99396017 0.0001126
616287.73481971 0.0008020
151103.30117264 0.0037395
47141.85872853 0.0134119
17529.40640418 0.0387666
7260.52500212 0.1047107
3025.71991729 0.2841532
1247.90516632 0.6416536
In S
525.78514244 -0.6182996
227.70274356 -0.4117580
In S
37.42356574 0.8547280
15.40856655 0.1637561
In S
7.80235647 -0.9129205
3.66651376 -0.0957109
In S
1.58107676 0.6747568
0.68346506 0.3535450
In S
81.15347986 1.0000000
In S
0.16693398 1.0000000
In S
0.06074596 1.0000000
In P
15057.43809137 0.0005984
3736.13730897 0.0046182
1305.52437933 0.0215333
530.19961571 0.0783546
227.22714039 0.2267649
100.29531263 0.4265742
45.55071966 0.3928273
In P
9.30536768 -0.7319368
4.34502689 -0.3034736
In P
2.03496374 0.6922614
0.89930195 0.3509367
0.04072711 0.0068795
In P
19.89039293 1.0000000
In P
0.34908476 1.0000000
In P
0.11984145 1.0000000
In D
404.44497713 0.0091116
120.40150512 0.0674912
44.84756662 0.2438020
18.32709234 0.4522366
7.76910230 0.3830643
3.02700765 0.0825163
In D
1.17153703 1.0000000
In D
0.40449780 1.0000000
In F
1.2673800 1.0000000
end
basis "Sn_DZP" SPHERICAL
Sn S
4238589.38529473 0.0001263
673793.42495089 0.0008800
170097.07647820 0.0038795
55609.70461290 0.0129455
21415.49971415 0.0369050
8977.66375890 0.0996500
3782.07819166 0.2737153
1562.92528277 0.6563110
Sn S
648.12338474 -0.5701632
272.54080122 -0.4629734
Sn S
46.76879883 -0.7902759
22.69311379 -0.2259347
Sn S
9.71239974 -0.6399296
4.80098504 -0.3811111
Sn S
1.87390748 0.6068691
0.82932636 0.4219649
Sn S
94.87261510 1.0000000
Sn S
0.20078915 1.0000000
Sn S
0.07538279 1.0000000
Sn P
15934.47942881 0.0005873
3949.03996243 0.0045455
1382.89878270 0.0210093
566.21188582 0.0755028
244.15478655 0.2202092
107.89717825 0.4237674
48.96252198 0.4038944
Sn P
10.07938092 0.7252962
4.75501791 0.3096567
Sn P
2.25355772 0.6755163
1.01299742 0.3734322
0.15319025 -0.0228824
Sn P
21.42982885 1.0000000
Sn P
0.39772444 1.0000000
Sn P
0.05502644 1.0000000
Sn D
439.54036499 0.0085018
130.83523828 0.0639522
48.78644670 0.2353001
20.01140691 0.4465600
8.53464202 0.3913098
3.38957135 0.0903839
Sn D
1.34061058 1.0000000
Sn D
0.47738533 1.0000000
Sn F
1.4803000 1.0000000
end
basis "Sb_DZP" SPHERICAL
Sb S
4576912.39461047 -0.0001233
722274.85585881 -0.0008704
180461.44189899 -0.0038945
58510.85396354 -0.0131140
22407.98050811 -0.0375549
9397.19468637 -0.1003697
3988.08004008 -0.2728250
1658.51236772 -0.6554198
Sb S
689.53631958 -0.5632845
290.33252531 -0.4698482
Sb S
51.76115244 -0.7577797
25.43660363 -0.2594820
Sb S
10.68711246 -0.5687076
5.35097749 -0.4527500
Sb S
2.08203748 0.5691223
0.94593102 0.4585654
Sb S
103.03896014 1.0000000
Sb S
0.23237717 1.0000000
Sb S
0.08908140 1.0000000
Sb P
17526.99848246 0.0008306
4338.38561674 0.0064535
1521.20209475 0.0297856
625.08384057 0.1074763
269.92029289 0.3200230
119.21923344 0.6397906
Sb P
24.01714113 -0.3162973
11.38682967 -0.7186590
Sb P
5.48204731 -0.1147836
2.57971786 0.5859859
1.16867338 0.4849648
0.46335800 0.0833342
Sb P
54.10285183 1.0000000
Sb P
0.18646747 1.0000000
Sb P
0.06892036 1.0000000
Sb D
482.52442053 0.0076276
144.20982987 0.0579483
54.02687331 0.2179002
22.27295388 0.4330145
9.53470440 0.4102915
3.84640851 0.1077162
Sb D
1.54677239 1.0000000
Sb D
0.56155038 1.0000000
Sb F
1.7468010 1.0000000
end
basis "Te_DZP" SPHERICAL
Te S
4650601.62944046 -0.0001291
732410.37796376 -0.0009121
183587.78336399 -0.0040438
60119.30754396 -0.0133655
23190.68448638 -0.0383029
9737.01632783 -0.1018466
4166.07002735 -0.2725802
1748.29117439 -0.6528605
Te S
729.63641733 -0.5576433
307.46500803 -0.4754956
Te S
55.97521174 -0.7379376
27.54602392 -0.2801360
Te S
11.33873168 -0.5486633
5.70208693 -0.4726956
Te S
2.22186025 0.5734969
1.02667130 0.4530005
Te S
110.73724148 1.0000000
Te S
0.27246346 1.0000000
Te S
0.10489073 1.0000000
Te P
8289.94492999 0.0005423
4521.61764712 0.0042249
1585.75140286 0.0194377
654.35415772 0.0694895
283.76216310 0.2069498
125.50601977 0.4171248
56.92437628 0.4276298
Te P
11.96243933 -0.7083409
5.74608357 -0.3260789
Te P
2.71079969 0.5979879
1.23555585 0.3895349
0.47667416 0.0876738
Te P
25.23465437 1.0000000
Te P
0.19817871 1.0000000
Te P
0.07356233 1.0000000
Te D
519.00405018 0.0073211
155.37108353 0.0560993
58.31953191 0.2142426
24.11039580 0.4317449
10.36130878 0.4124570
4.22870886 0.1097825
Te D
1.72518271 1.0000000
Te D
0.63881217 1.0000000
Te F
1.9721100 1.0000000
end
basis "I_DZP" SPHERICAL
I S
5464702.08060097 0.0001093
849942.52168504 0.0007913
207458.86762606 0.0036900
64929.86485391 0.0131833
23909.80880875 0.0395406
9850.71275593 0.1040723
4222.34623514 0.2741166
1781.76403452 0.6488818
I S
749.21394356 -0.5595941
318.75246448 -0.4728234
I S
59.88344918 -0.7200351
29.50227605 -0.2987074
I S
12.24593624 -0.5061450
6.20345391 -0.5148945
I S
2.43764323 0.5412411
1.14985168 0.4841938
I S
118.02205930 1.0000000
I S
0.30638210 1.0000000
I S
0.11926836 1.0000000
I P
20182.20166081 0.0004988
4999.21100888 0.0038641
1768.53795847 0.0174910
734.77528080 0.0632147
317.51165410 0.1951982
139.60118455 0.4117047
63.12833732 0.4496355
I P
13.45203045 -0.6861431
6.52579989 -0.3486363
I P
3.02467901 0.5601269
1.38040546 0.4313665
0.52669045 0.0821826
I P
28.34086632 1.0000000
I P
0.22217820 1.0000000
I P
0.08328104 1.0000000
I D
565.98837950 0.0067496
168.69681731 0.0529920
63.14306896 0.2071444
26.10306850 0.4270744
11.24530421 0.4189456
4.63907320 0.1167256
I D
1.91572411 1.0000000
I D
0.72024616 1.0000000
I F
2.20029999 1.0000000
end
basis "Xe_DZP" SPHERICAL
Xe S
5300603.64553030 0.0001206
830291.96023362 0.0008636
204622.59537664 0.0039494
65467.65670800 0.0135309
24638.35965707 0.0400564
10166.62174430 0.1067087
4378.44248334 0.2749072
1872.44267126 0.6441580
Xe S
791.67226166 -0.5534700
335.97247692 -0.4791942
Xe S
62.71741001 -0.7187354
30.85802860 -0.3001261
Xe S
12.58441890 -0.5299055
6.37253749 -0.4911267
Xe S
2.52103894 0.5795385
1.19813268 0.4450428
Xe S
123.77865014 1.0000000
Xe S
0.35467594 1.0000000
Xe S
0.13770054 1.0000000
Xe P
19789.21536178 0.0005471
4884.31861520 0.0042796
1716.21072091 0.0194546
717.46791924 0.0675559
315.32662293 0.2005936
140.29749882 0.4126803
63.76419492 0.4381311
Xe P
13.53639555 -0.7044975
6.53430209 -0.3297007
Xe P
3.09312426 0.6028430
1.44315313 0.3816860
0.57854424 0.0860834
Xe P
28.46523338 1.0000000
Xe P
0.24632510 1.0000000
Xe P
0.09406752 1.0000000
Xe D
562.16186208 0.0075383
166.96897515 0.0586387
62.58995927 0.2216933
26.06667973 0.4340414
11.40476322 0.3998265
4.80680923 0.1061374
Xe D
2.02133549 1.0000000
Xe D
0.77586645 1.0000000
Xe F
2.37949999 1.0000000
end
basis "Cs_DZP" SPHERICAL
Cs S
6358555.97315775 0.0000765
975197.47595161 0.0005498
231373.26611387 0.0028406
69185.23544252 0.0102337
23659.17763478 0.0383972
8710.01454098 0.1073537
3367.61386358 0.3291037
1364.80248248 0.6022762
Cs S
581.63387583 0.7029532
258.80694654 0.3222920
Cs S
95.88801448 -0.3183106
43.54566052 -0.7055861
Cs S
16.32206039 0.2258865
8.45550848 0.7876493
Cs S
3.07402909 0.3003203
1.53791203 0.7177121
Cs S
0.3979442 -0.5733263
0.17766636 -0.4555020
Cs S
0.02479428 1.0000000
Cs S
0.01195514 1.0000000
Cs P
21037.84374441 0.0005031
5071.37994339 0.0042097
1668.89333058 0.0225637
635.10758740 0.0894212
263.08966412 0.2538516
115.50808456 0.4371824
52.87866472 0.3481530
Cs P
23.22594073 0.4644769
10.93541108 0.5773104
Cs P
4.7796866 0.2373699
2.26180403 0.7917474
Cs P
1.01555189 -0.0555642
0.3907088 1.0415553
Cs P
0.14486649 1.0000000
Cs P
0.01678762 1.0000000
Cs D
440.68504626 0.0166903
131.17304432 0.1178397
48.69780966 0.3900659
19.65225281 0.6228864
Cs D
8.26146128 0.2868496
3.16805389 0.6112763
1.1460849 0.2590980
Cs D
7.68863433 1.0000000
end
basis "Ba_DZP" SPHERICAL
Ba S
4105408.7752721 0.0000626
640608.8306394 0.0004520
156917.3696354 0.0020849
49428.64291976 0.0074053
17854.91576732 0.0236940
6754.77672865 0.0724595
2617.27317214 0.1903016
1055.27787274 0.3607008
446.61790989 0.3687412
194.65852105 0.1199040
87.46255104 0.0012414
Ba S
15.76230201 0.9282749
8.18371739 0.0771615
Ba S
0.47187296 -0.5788432
0.22162859 -0.4465102
Ba S
40.75591794 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 0.0005489
5075.01233415 0.0044457
1705.4593875 0.0227914
662.49806644 0.0878424
278.0963688 0.2483795
122.91314505 0.4337768
56.44361747 0.3565843
Ba P
24.90820425 0.4227364
11.79430949 0.6174218
Ba P
5.25272385 0.1897611
2.5120921 0.6572943
1.15038269 0.2136417
Ba P
0.45241457 1.0000000
Ba P
0.17448459 1.0000000
Ba P
0.01654198 1.0000000
Ba D
485.73820421 0.0123294
144.54597384 0.0892625
53.66053808 0.3059233
21.6895271 0.5016920
9.16389558 0.3001629
Ba D
3.50661153 0.6982762
1.28254997 0.3925171
Ba D
9.79091475 1.0000000
end
basis "La_DZP" SPHERICAL
La S
3998130.73722109 0.0002266
616447.48845486 0.0015759
147546.92430256 0.0082881
45145.56511044 0.0266301
16169.16612592 0.0990322
6278.34871464 0.2287286
2520.93278028 0.7150157
La S
1045.79266257 -0.4104441
451.41249006 -0.5250117
199.27398408 -0.1135385
La S
90.81290524 -0.4247715
42.58651612 -0.6003419
La S
16.89186846 0.2888397
8.79627248 0.7268786
La S
3.58496243 -0.2934183
1.78854507 -0.7245016
La S
0.53191336 0.5251729
0.25623851 0.4989678
La S
0.05260473 1.0000000
La S
0.02254009 1.0000000
La P
21518.62949477 0.0005577
5253.50151695 0.0044937
1787.44050128 0.0221983
711.41536934 0.0821721
304.6976537 0.2326470
135.87490194 0.4262101
62.47138045 0.3823994
La P
27.6927786 0.3292922
13.16508623 0.5457568
6.02513259 0.2007746
La P
1.36042431 0.0505360
0.52211722 0.9611208
La P
2.89717519 1.0000000
La P
0.2016244 1.0000000
La P
0.0559890 1.0000000
La D
558.48078918 0.0102315
168.08085189 0.0745957
63.76158908 0.2637326
26.70219944 0.4741750
11.76349747 0.3712839
La D
4.84911194 -0.5731840
2.00222533 -0.5055141
La D
0.71963271 1.0000000
La D
0.18696763 1.0000000
La F
0.2459837 1.0000000
end
basis "Hf_DZP" SPHERICAL
Hf S
6410731.86049468 0.0002293
982921.10883135 0.0016310
233876.26777358 0.0084550
72011.56845561 0.0272224
26282.76228597 0.0956199
10313.88377026 0.2310558
4108.18805489 0.7150334
Hf S
1677.82905866 0.4233565
712.54432032 0.5471415
304.99517413 0.0746952
Hf S
144.08890318 -0.4552704
68.90441519 -0.5690425
Hf S
27.93528937 0.3930536
14.6576598 0.6249137
Hf S
6.03493432 -0.4130670
2.94698031 -0.6093414
Hf S
0.87711516 -0.5656020
0.39440701 -0.4628323
Hf S
0.07171444 1.0000000
Hf S
0.02839927 1.0000000
Hf P
30668.25948905 0.0006805
7427.36916277 0.0056032
2472.92649251 0.0288205
961.64000268 0.1069155
409.76032624 0.2783192
185.67234061 0.4327442
87.8845603 0.3036888
Hf P
40.72343996 0.5735855
19.96625157 0.4640398
Hf P
9.03327815 0.3474760
4.23449844 0.6903709
Hf P
1.79496141 0.1488031
0.76505995 0.8767068
Hf P
0.29289971 1.0000000
Hf P
0.05491585 1.0000000
Hf D
794.64137627 0.0147448
239.68675574 0.1033689
91.48245986 0.3316076
38.63442299 0.4948473
17.0537650 0.2557305
Hf D
7.27509326 0.7396523
2.93345329 0.3298338
Hf D
0.79007033 1.0000000
Hf D
0.21353665 1.0000000
Hf F
57.30718915 0.0854986
17.80864909 0.3380426
6.0391431 0.5283505
1.83994935 0.3917254
Hf F
2.12707466 1.0000000
end
basis "Ta_DZP" SPHERICAL
Ta S
6597232.23193603 0.0000677
1007458.94587496 0.0005072
239475.86147182 0.0024436
74172.03331521 0.0086009
27851.68896941 0.0245253
11273.13542395 0.0697920
4533.90520179 0.1831153
1849.45938139 0.3539112
785.50643948 0.3725837
345.3180915 0.1281249
154.86652319 0.0021525
73.24937063 0.0016488
Ta S
15.14752397 1.4627431
6.22255901 -0.5846983
Ta S
28.67618248 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 0.0007004
7652.69489837 0.0055808
2601.52154392 0.0276150
1031.27374267 0.1006617
443.86760314 0.2669197
201.61601469 0.4312060
95.35127783 0.3216013
Ta P
44.05112795 0.5444485
21.62521867 0.4933985
Ta P
9.91592843 0.3149345
4.70165754 0.7199273
Ta P
2.0812157 0.1076503
0.86639316 0.9125402
Ta P
0.32979551 1.0000000
Ta P
0.02927985 1.0000000
Ta D
766.91328433 0.0173591
231.08003274 0.1196475
88.10199526 0.3643669
37.1728187 0.4910559
16.23257498 0.2114409
Ta D
7.02792586 -0.8037007
2.89181117 -0.2523487
Ta D
0.81047042 1.0000000
Ta D
0.22972783 1.0000000
Ta F
61.65853553 0.0892220
19.25206034 0.3487635
6.59355469 0.5345095
2.04937197 0.3638752
Ta F
2.5236970 1.0000000
end
basis "W_DZP" SPHERICAL
W S
6418565.18753791 0.0002448
983288.65062392 0.0017348
238048.00574063 0.0086713
74232.33704228 0.0279935
27262.74161667 0.0960087
10762.34210691 0.2347126
4306.80027543 0.7101655
W S
1761.82798206 0.4288658
747.53643864 0.5521558
317.20624561 0.0624537
W S
151.32385871 0.4632514
72.69694364 0.5608526
W S
29.40479782 0.4100058
15.44017399 0.6081931
W S
6.43794438 -0.4185261
3.1879674 -0.6031437
W S
1.01232978 0.5748776
0.45538889 0.4534109
W S
0.08473158 1.0000000
W S
0.0324967 1.0000000
W P
35145.85681559 0.0005959
8519.34740943 0.0048979
2852.76372126 0.0250393
1117.14451937 0.0936432
476.95658162 0.2540197
215.1400099 0.4287599
101.00605085 0.3459336
W P
45.99411001 0.5117276
22.40997337 0.5269791
W P
10.08037113 0.2777433
4.7615397 0.7548229
W P
2.05271764 0.1660188
0.8897736 0.8609580
W P
0.34335843 1.0000000
W P
0.0601934 1.0000000
W D
822.87635084 0.0155406
248.38600067 0.1081017
94.87349465 0.3412662
40.11191776 0.4949031
17.65608185 0.2412754
W D
7.62295985 -0.7696917
3.14804289 -0.2918018
W D
0.90098149 1.0000000
W D
0.26087337 1.0000000
W F
65.62008117 0.0816406
20.58374062 0.3336398
7.11329521 0.5340552
2.25077914 0.3783629
W F
0.55804402 1.0000000
end
basis "Re_DZP" SPHERICAL
Re S
7353173.11873758 0.0000630
1141458.7004534 0.0004588
276849.16595284 0.0021572
85729.52806891 0.0078677
30584.31207753 0.0252249
11617.47261026 0.0753618
4559.60994257 0.1935130
1861.78512972 0.3603753
796.05385143 0.3641007
348.75709751 0.1171173
161.75844223 0.0000167
Re S
31.18431102 1.0650111
16.56660144 -0.0703559
Re S
3.46056947 1.6072793
1.24776161 -0.8932832
Re S
77.29346694 1.0000000
Re S
6.82105035 1.0000000
Re S
0.61060371 1.0000000
Re S
0.26088612 1.0000000
Re S
0.05765105 1.0000000
Re P
38607.68664896 0.0005325
9278.26796902 0.0044816
3052.91144965 0.0239735
1168.34489235 0.0938459
488.07916315 0.2626700
216.40685403 0.4391342
100.43499637 0.3301844
Re P
44.74024474 0.5614304
21.64509204 0.4777476
Re P
8.67264996 0.5137704
4.21007873 0.5253208
Re P
2.18094428 0.1273270
1.05646507 0.8893452
Re P
0.43361436 1.0000000
Re P
0.0410164 1.0000000
Re D
828.06708115 0.0163783
249.08888098 0.1143342
94.44727925 0.3578995
39.40399687 0.5017030
16.75617562 0.2152835
Re D
7.35752298 -0.8233474
3.09657904 -0.2261357
Re D
0.92786581 1.0000000
Re D
0.27711325 1.0000000
Re F
69.8803777 0.0807724
22.00531312 0.3334262
7.66325167 0.5378856
2.46182535 0.3689683
Re F
0.79685276 1.0000000
end
basis "Os_DZP" SPHERICAL
Os S
6920939.29740365 0.0000703
1072260.5250188 0.0005136
260040.58299031 0.0023999
81982.95828265 0.0083222
30656.95009919 0.0245602
12168.52587471 0.0713437
4861.52927595 0.1851035
1991.06140312 0.3530238
851.39541112 0.3697056
377.20291096 0.1286709
169.79918583 0.0027829
Os S
6.99392866 0.1951175
3.53088523 0.8179399
Os S
1.13682714 -0.5851683
0.50117028 -0.4443559
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 0.0005192
9844.65415646 0.0042298
3291.23708579 0.0221541
1268.67634529 0.0873893
530.87177153 0.2496543
235.88871766 0.4344211
109.8316406 0.3530322
Os P
49.91984576 -0.4874744
24.37713618 -0.5508594
Os P
11.10426727 -0.2649384
5.28733593 -0.6576823
2.3234113 -0.1376912
Os P
1.01104126 1.0000000
Os P
0.38475648 1.0000000
Os P
0.02908831 1.0000000
Os D
836.69122485 0.0170032
252.12086402 0.1173674
96.03347935 0.3606441
40.41822573 0.4956911
17.46614789 0.2134756
Os D
7.54579889 -0.8357007
3.15745393 -0.2119344
Os D
0.95971364 1.0000000
Os D
0.26827271 1.0000000
Os F
73.67007703 0.0804037
23.28958019 0.3349488
8.16802748 0.5422645
2.66067186 0.3571172
Os F
0.74229121 1.0000000
end
basis "Ir_DZP" SPHERICAL
Ir S
7355062.27296250 0.0002383
1122449.7486304 0.0016612
264043.32652364 0.0091978
79530.18099874 0.0286637
28940.43003677 0.1066284
11833.91309241 0.2063018
4898.94958465 0.7256023
Ir S
2028.13688819 -0.3887690
864.38370146 -0.5330674
378.3970878 -0.1297397
Ir S
170.78383882 -0.4347231
81.1362117 -0.5897343
Ir S
32.67309091 0.3953188
17.21618845 0.6224601
Ir S
7.1874003 -0.4098601
3.63595494 -0.6104220
Ir S
1.20019649 0.6159607
0.52543821 0.4134056
Ir S
0.08892968 1.0000000
Ir S
0.03291613 1.0000000
Ir P
38431.59716761 0.0005954
9470.47306759 0.0047070
3252.59762142 0.0229463
1303.87858221 0.0844437
562.51297953 0.2369866
253.74309887 0.4261718
118.60463149 0.3727620
Ir P
53.95344888 -0.4337049
26.3523015 -0.6036682
Ir P
12.11454332 0.2483841
5.78798245 0.7809781
Ir P
2.60343024 0.0731887
1.11210204 0.9402879
Ir P
0.4213489 1.0000000
Ir P
0.0357323 1.0000000
Ir D
854.65756706 0.0171642
257.4491460 0.1182583
97.98220218 0.3633728
41.19164459 0.4966176
17.70900161 0.2090674
Ir D
7.64851115 -0.8537458
3.21028776 -0.1896350
Ir D
1.01887691 1.0000000
Ir D
0.28992313 1.0000000
Ir F
77.67028678 0.0786668
24.64579022 0.3317237
8.70155207 0.5417405
2.87091399 0.3579124
Ir F
0.71360987 1.0000000
end
basis "Pt_DZP" SPHERICAL
Pt S
2791808.07651936 0.0001912
882487.58526301 0.0003840
278953.39392896 0.0024520
83026.90575739 0.0085909
33189.87040279 0.0224299
13267.59665804 0.0692804
5303.70016346 0.1778766
2181.30805267 0.3446446
928.84325487 0.3819050
395.51946414 0.1386252
Pt S
30.53825011 -0.7235654
13.00377890 -0.3033501
Pt S
5.53726114 -0.8210469
2.35787314 -0.1990625
Pt S
1.00402809 0.8144542
0.42753462 0.2062038
Pt S
168.41985523 1.0000000
Pt S
71.71643928 1.0000000
Pt S
0.18205253 1.0000000
Pt S
0.07752150 1.0000000
Pt P
25389.72897085 0.0010889
7404.32819925 0.0067513
2613.69445646 0.0326401
1062.96770831 0.1105762
472.67119558 0.2705927
218.47683705 0.4331482
100.98378910 0.3039923
Pt P
46.67646144 0.6234384
21.57467126 0.4190589
Pt P
9.97218782 0.4786935
4.60931843 0.5652918
Pt P
2.13050704 0.3684168
0.98475736 0.6718918
Pt P
0.45517196 1.0000000
Pt P
0.12639299 1.0000000
Pt P
0.04712598 1.0000000
Pt D
944.74967668 0.0142384
298.59854131 0.0954306
113.41571932 0.3318852
46.72129236 0.5063913
20.49825991 0.2514720
Pt D
7.62902460 0.8834692
2.83936376 0.1643180
Pt D
1.05675194 1.0000000
Pt D
0.39330102 1.0000000
Pt F
81.71356317 0.0793122
26.01465414 0.3352332
9.24164592 0.5453495
3.08336027 0.3452752
Pt F
0.8488304 1.0000000
end
basis "Au_DZP" SPHERICAL
Au S
14703222.86676416 0.0000848
2262824.6780320 0.0006538
541256.94037958 0.0029515
164442.91034176 0.0121936
59155.59429110 0.0322217
24111.28878337 0.1035783
10152.24890131 0.2336894
4170.67168425 0.6964663
Au S
1707.4339431 0.5014610
708.28135147 0.5330298
Au S
243.52806941 -0.1766244
117.22573806 -0.7974544
53.38778177 -0.0453803
Au S
10.72476847 0.0241764
4.98291235 0.9782328
Au S
1.37574165 -0.4708395
0.66299967 -0.5531306
Au S
25.23167009 1.0000000
Au S
0.11066351 1.0000000
Au S
0.03911478 1.0000000
Au P
57867.45693148 0.0003017
14466.07282046 0.0023115
5096.80289128 0.0110960
2035.23445681 0.0457278
842.36068729 0.1563409
361.46395991 0.3592859
161.78689265 0.4275807
73.04451373 0.1686739
Au P
16.95126547 0.1944961
7.8956218 0.4430707
3.73415826 0.4458192
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 0.0127905
315.34985277 0.0955959
118.76210977 0.3271263
49.52241329 0.5064788
21.54470227 0.2564127
Au D
9.19880872 -0.7997074
3.88284809 -0.2538361
Au D
1.23471691 1.0000000
Au D
0.35702456 1.0000000
Au F
86.31773515 0.0762863
27.55700975 0.3264574
9.83940823 0.5439810
3.31580164 0.3546312
Au F
0.8410348 1.0000000
end
basis "Hg_DZP" SPHERICAL
Hg S
8239950.19726132 -0.0002309
1266363.04736361 -0.0015417
304451.90337935 -0.0085521
94683.44216671 -0.0238592
34649.41196114 -0.0998142
13556.16738878 -0.2010489
5414.46932168 -0.7422181
Hg S
2230.74069038 -0.3729360
961.04903907 -0.5106408
431.10861937 -0.1711456
Hg S
192.32037861 -0.4020078
91.36666406 -0.6218484
Hg S
36.86513257 0.3490797
19.65998319 0.6671662
Hg S
8.07462828 -0.3832303
4.20077513 -0.6350164
Hg S
1.44233073 0.5899183
0.6455606 0.4384790
Hg S
0.11365974 1.0000000
Hg S
0.04100423 1.0000000
Hg P
60787.01041955 0.0002932
14869.2765082 0.0023730
5090.16046249 0.0119204
2023.38268047 0.0475884
855.8597162 0.1542457
376.7245728 0.3468765
172.36081598 0.4212665
80.37140666 0.1840754
Hg P
38.95959627 -0.9473195
19.19160459 -0.0608500
Hg P
8.81214955 0.6107846
4.19929574 0.4289177
Hg P
1.54376913 1.0000000
Hg P
0.58278433 1.0000000
Hg P
0.03456805 1.0000000
Hg D
1056.80286284 0.0134963
318.39557947 0.0978041
121.35208394 0.3261084
51.23045532 0.5002805
22.59911902 0.2591220
Hg D
9.75444378 -0.7924147
4.17528976 -0.2606181
Hg D
1.37038911 1.0000000
Hg D
0.41818459 1.0000000
Hg F
91.24709249 0.0742089
29.20126842 0.3229938
10.47585449 0.5449921
3.56209639 0.3549186
Hg F
0.89764211 1.0000000
end
basis "Tl_DZP" SPHERICAL
Tl S
13591197.89947213 0.0000920
2091140.7672869 0.0006949
497635.73497037 0.0032807
151452.45717247 0.0126688
55122.99964791 0.0354390
22562.26745899 0.1039403
9434.62253175 0.2596529
3894.5404853 0.6686442
Tl S
1623.67424209 0.5475649
690.05285559 0.4850466
Tl S
240.06087308 -0.2365095
113.1845603 -0.7815168
Tl S
47.49468928 0.0808016
24.80774739 0.9247715
Tl S
10.21056725 -0.1255940
5.15263035 -0.8835130
Tl S
1.55149083 0.4875962
0.75902855 0.5355308
Tl S
0.14341272 1.0000000
Tl S
0.05484856 1.0000000
Tl P
61688.96859415 0.0003378
15413.37608118 0.0025846
5465.37660244 0.0121765
2202.28024437 0.0498092
913.80847287 0.1721862
391.80924543 0.4030717
175.31195862 0.4925217
Tl P
18.7434214 0.0204981
8.85477772 -1.0172021
Tl P
4.27664733 0.2309763
1.72246137 -0.7050236
0.70397466 -0.4966054
Tl P
79.56334158 1.0000000
Tl P
38.48896333 1.0000000
Tl P
0.16174053 1.0000000
Tl P
0.04912678 1.0000000
Tl D
1210.33402298 0.0137523
361.22274262 0.1054688
136.42024408 0.3787515
57.25511022 0.6344065
Tl D
25.36642867 -0.0684195
10.87038286 -0.5968938
4.66687152 -0.4278046
Tl D
1.5433144 1.0000000
Tl D
0.49186169 1.0000000
Tl F
95.27469602 0.0515037
30.58627048 0.2463088
11.03123539 0.5262474
3.78768483 0.4545162
Tl F
4.9428424 1.0000000
end
basis "Pb_DZP" SPHERICAL
Pb S
16101817.42696378 0.0000867
2501685.91105671 0.0006605
603790.76117644 0.0029384
183918.61074164 0.0122601
65817.78528359 0.0324672
26923.87319476 0.1034321
11480.52016566 0.2277244
4733.63854167 0.7014476
Pb S
1933.86650155 -0.4817625
800.63844327 -0.5527369
Pb S
283.00753569 -0.1049292
141.1884804 -0.7060940
69.34596812 -0.2149620
Pb S
29.88944688 0.8253503
14.07819791 0.1900018
Pb S
1.87253594 0.2369477
0.95302455 0.7777846
Pb S
5.94869019 1.0000000
Pb S
0.17626806 1.0000000
Pb S
0.07210639 1.0000000
Pb P
63038.71807399 0.0003381
15726.12538812 0.0025934
5568.78046194 0.0122540
2239.89691207 0.0502431
927.88499616 0.1737314
397.23741535 0.4050123
177.41130995 0.4893184
Pb P
38.73000268 -0.9553275
18.75424395 -0.0520316
Pb P
8.94214058 0.7549975
4.33408619 0.2753626
Pb P
1.81051569 0.6189621
0.76030846 0.4344856
Pb P
80.00889305 1.0000000
Pb P
0.18654935 1.0000000
Pb P
0.06157886 1.0000000
Pb D
1286.00453527 0.0101805
383.84880954 0.0789656
145.08002717 0.2890666
61.02254497 0.4979242
27.17767306 0.3133052
Pb D
11.65515947 -0.7223511
5.03437335 -0.3391966
Pb D
1.69406339 1.0000000
Pb D
0.55976636 1.0000000
Pb F
99.86076057 0.0704721
32.14098459 0.3136855
11.64612633 0.5437133
4.03311915 0.3618698
Pb F
1.09555956 1.0000000
end
basis "Bi_DZP" SPHERICAL
Bi S
16677003.69404605 0.0000293
2576495.12335172 0.0002151
620736.96637196 0.0010223
191858.40211576 0.0037189
70254.62390737 0.0111751
28480.24395238 0.0313177
11750.60198009 0.0876308
4799.90146902 0.2173185
1980.31376809 0.3848714
833.32954976 0.3459107
312.86265817 0.0780755
158.09670582 -0.0179965
Bi S
6.41105985 -0.7880788
2.31792777 -0.2440893
Bi S
79.01139628 1.0000000
Bi S
32.48395092 1.0000000
Bi S
16.1482773 1.0000000
Bi S
1.09907022 1.0000000
Bi S
0.21177426 1.0000000
Bi S
0.09017853 1.0000000
Bi P
77648.86511799 0.0002518
19165.29223933 0.0020089
6527.24277174 0.0105732
2504.62453791 0.0467960
1012.47610098 0.1666884
430.08964295 0.3981537
192.05242255 0.5059014
Bi P
42.48928538 -0.8435000
20.87463323 -0.1777559
Bi P
9.8345717 0.6642515
4.80039969 0.3710219
Bi P
1.98835531 0.6001302
0.85463887 0.4512657
Bi P
87.86788679 1.0000000
Bi P
0.22150389 1.0000000
Bi P
0.07641635 1.0000000
Bi D
1155.85665786 0.0133624
348.41014501 0.0974353
133.12549186 0.3250578
56.51599048 0.4977209
25.14322453 0.2615054
Bi D
11.04820032 -0.8003651
4.85800204 -0.2480543
Bi D
1.74099858 1.0000000
Bi D
0.59813861 1.0000000
Bi F
104.43541922 0.0715526
33.69733498 0.3177662
12.26391379 0.5466323
4.28172791 0.3507578
Bi F
1.15386394 1.0000000
end
basis "Po_DZP" SPHERICAL
Po S
15993836.50553319 0.0000952
2447844.22095386 0.0007341
585813.15379550 0.0033104
184072.37912718 0.0123956
71685.23786305 0.0287739
30549.69858266 0.0951199
12524.9431319 0.2406486
5027.30598103 0.6999843
Po S
2054.21360577 0.4786414
861.88158249 0.5548467
Po S
326.20409545 0.0495463
165.31230753 0.6244825
82.78915017 0.3515149
Po S
33.87397353 -0.6873572
17.04344413 -0.3314006
Po S
2.58488477 0.0136407
1.1958366 0.9877468
Po S
6.73579593 1.0000000
Po S
0.24054759 1.0000000
Po S
0.10403145 1.0000000
Po P
71257.88303331 0.0003015
17246.21734469 0.0025042
5813.50460205 0.0130203
2275.3581211 0.0534641
948.91593323 0.1774693
412.3454211 0.4032473
186.48270563 0.4832495
Po P
41.56256394 -0.9261748
20.34641061 -0.0851651
Po P
9.7302743 0.7350020
4.7714805 0.2958232
Po P
2.04761395 0.6130402
0.90094258 0.4352437
Po P
85.24656117 1.0000000
Po P
0.24953845 1.0000000
Po P
0.08417905 1.0000000
Po D
1170.48314455 0.0135948
353.69760866 0.0979895
135.6315301 0.3242067
57.83344954 0.4961164
25.83878969 0.2625122
Po D
11.43547988 -0.8016861
5.07155228 -0.2455032
Po D
1.86141892 1.0000000
Po D
0.65702269 1.0000000
Po F
109.22230809 0.0694646
35.32392154 0.3134605
12.90894264 0.5466473
4.5409259 0.3536234
Po F
1.23246688 1.0000000
end
basis "At_DZP" SPHERICAL
At S
18822494.94677222 0.0000815
2919484.83122225 0.0006128
702116.65014444 0.0028224
212508.2911474 0.0114494
75215.32847993 0.0329803
30166.4067656 0.1006120
12657.30207093 0.2414368
5218.92156086 0.6911319
At S
2152.62429589 0.4701914
905.23761888 0.5630364
At S
349.24222158 -0.0285504
176.86293455 -0.5962003
88.1247892 -0.3998967
At S
35.74214444 -0.6368470
18.29547972 -0.3822621
At S
7.13944415 -0.9492998
2.9797030 -0.0577857
At S
1.30271518 1.0000000
At S
0.27268123 1.0000000
At S
0.12011285 1.0000000
At P
68841.54733327 0.0003315
17375.85894681 0.0024717
6243.13375473 0.0114535
2514.35982528 0.0478797
1034.71013463 0.1691140
440.81408956 0.4022408
196.49244678 0.4983143
At P
43.17165645 -0.9187875
21.05718798 -0.0936964
At P
10.06098458 0.7391061
4.93588052 0.2913972
At P
2.1503001 0.6186726
0.96385078 0.4273337
At P
88.99068696 1.0000000
At P
0.28277246 1.0000000
At P
0.09570244 1.0000000
At D
1255.32821172 0.0124806
378.87707926 0.0916407
145.14141676 0.3120345
61.88556364 0.4959480
27.78155702 0.2797266
At D
12.28157689 -0.7780509
5.46845303 -0.2722411
At D
2.01848567 1.0000000
At D
0.72617411 1.0000000
At F
114.1528881 0.0682491
36.99409937 0.3107899
13.57101585 0.5467921
4.80747454 0.3544183
At F
1.31073925 1.0000000
end
basis "Rn_DZP" SPHERICAL
Rn S
18681058.46033585 -0.0000903
2862206.39138778 -0.0006684
679369.11421916 -0.0033012
206565.94812377 -0.0119597
76282.33667924 -0.0351462
32032.77215417 -0.0911087
13453.50737892 -0.2638783
5494.01415732 -0.6752813
Rn S
2267.46474705 0.4745851
962.57397146 0.5829677
393.64712618 -0.0318577
Rn S
195.32262212 -0.5269075
96.18491088 -0.4958412
Rn S
38.10938707 0.5081782
19.92237984 0.5110120
Rn S
7.59922189 -0.9191117
3.45276794 -0.0897175
Rn S
1.41019014 1.0000000
Rn S
0.30918559 1.0000000
Rn S
0.13782779 1.0000000
Rn P
71646.28014869 0.0005604
18421.23857562 0.0040217
6681.88035404 0.0187224
2662.18364255 0.0810249
1083.59303236 0.2906918
459.64938684 0.6979346
Rn P
93.28669143 -0.2049762
45.31174475 -0.8194934
Rn P
10.61760296 -0.5642671
5.24378338 -0.2561507
2.28539912 0.7127316
1.04150495 0.4915269
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 0.0103901
420.79354028 0.0780741
161.49192583 0.2773651
69.06942033 0.4806427
31.28939346 0.3405668
Rn D
13.73541931 -0.7183901
6.11700623 -0.3392434
Rn D
2.22889327 1.0000000
Rn D
0.81258684 1.0000000
Rn F
119.29471935 0.0641881
38.73571603 0.2950640
14.26026596 0.5494242
5.08459658 0.3661458
Rn F
2.54229829 1.0000000
end
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