/usr/share/nwchem/libraries/tzp is in nwchem-data 6.6+r27746-2.
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3022 3023 3024 3025 | # TZP EMSL Basis Set Exchange Library 6/9/14 1:07 PM
# Elements References
# -------- ----------
# H Li Be B C N O F Ne Na Mg Al Si P S Cl Ar: P. L. Barbieri, P. A. Fantin, and F. E. Jorge, Gaussian basis sets of triple and quadruple zeta valence quality for correlated wave functions, Mol. Phys. 104, 2945 (2006).
# K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr: S. F. Machado, G. G. Camiletti, A. Canal Neto, F. E. Jorge, and Raquel S. Jorge, Gaussian basis set of triple zeta valence quality for the atoms from K to Kr: Application in DFT and CCSD(T) calculations of molecular properties, Mol. Phys. 107, 1713 (2009).
# Rb Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe: C. T. Campos and F. E. Jorge, Triple zeta quality basis sets for atoms Rb through Xe: application in CCSD(T) atomic and molecular property calculations, Mol. Phys. 111, 167 (2013).
#
basis "H_TZP" SPHERICAL
H S
34.87758369 0.0235323
5.23397281 0.1767166
1.18503342 0.7997511
H S
0.32833943 1.0000000
H S
0.11031918 1.0000000
H P
0.7188440 1.0000000
H P
0.3500000 1.0000000
H D
1.0750600 1.0000000
end
basis "He_TZP" SPHERICAL
He S
99.4613399 0.0265561
14.9507524 0.1928164
3.35324515 0.7806275
He S
0.89096786 1.0000000
He S
0.24892564 1.0000000
He P
3.28221999 1.0000000
He P
0.7917230 1.0000000
He D
1.88911999 1.0000000
end
basis "Li_TZP" SPHERICAL
Li S
2027.47420535 0.0007295
305.05639184 0.0056130
69.40582864 0.0287880
19.56145563 0.1107808
6.33475716 0.3060095
2.26781382 0.5480791
Li S
0.89243976 1.0000000
Li S
0.37919044 1.0000000
Li S
0.07654042 1.0000000
Li S
0.02858161 1.0000000
Li P
6.12819345 0.0101119
1.34557307 0.0571663
0.36143972 0.2336120
0.11777962 0.8035311
Li P
0.04435100 1.0000000
Li P
0.01784022 1.0000000
Li D
0.121468535 1.0000000
Li D
0.04980293 1.0000000
Li F
0.05461251 1.0000000
end
basis "Be_TZP" SPHERICAL
Be S
3912.17914788 0.0007613
590.27129139 0.0058332
134.84517744 0.0298485
38.15635575 0.1158401
12.3976811 0.3302261
4.44266338 0.6203736
Be S
1.75805118 1.0000000
Be S
0.75189041 1.0000000
Be S
0.17692111 1.0000000
Be S
0.06330857 1.0000000
Be P
13.52944849 0.0104895
3.05170146 0.0648956
0.86972775 0.2619043
0.29380258 0.7713095
Be P
0.11221497 1.0000000
Be P
0.04375479 1.0000000
Be D
0.3926000 1.0000000
Be D
0.1085183 1.0000000
Be F
0.2920900 1.0000000
end
basis "B_TZP" SPHERICAL
B S
5171.25825999 0.0008357
778.83149226 0.0064063
178.45473206 0.0323606
50.95595606 0.1222058
16.6676643 0.3380954
5.92018415 0.6071275
B S
2.39787337 1.0000000
B S
1.30416407 1.0000000
B S
0.2896449 1.0000000
B S
0.09686921 1.0000000
B P
22.07752591 0.0113933
5.01632409 0.0741396
1.47464931 0.2948262
0.50293562 0.7361047
B P
0.22030809 1.0000000
B P
0.08549193 1.0000000
B D
0.7077700 1.0000000
B D
0.2269140 1.0000000
B F
0.5324040 1.0000000
end
basis "C_TZP" SPHERICAL
C S
7615.05999113 0.0017784
1145.08684615 0.0136680
261.91952431 0.0692908
74.66834196 0.2631529
24.40551202 0.7344482
C S
8.68679013 0.5885314
3.23657623 0.4536170
C S
1.30179999 1.0000000
C S
0.52768873 1.0000000
C S
0.15694534 1.0000000
C P
34.50767936 0.0114038
7.91304441 0.0765963
2.36615458 0.3029741
0.81172425 0.7264544
C P
0.31228882 1.0000000
C P
0.11400266 1.0000000
C D
1.1540490 1.0000000
C D
0.3511286 1.0000000
C F
0.8193120 1.0000000
end
basis "N_TZP" SPHERICAL
N S
10259.65669438 0.0017931
1542.36864597 0.0137833
352.92239285 0.0698018
100.80632697 0.2641269
33.10725394 0.7328001
N S
11.88253928 0.5913763
4.46790829 0.4499684
N S
1.19676433 1.0000000
N S
0.63915992 1.0000000
N S
0.19744232 1.0000000
N P
49.11376009 0.0114857
11.32541037 0.0786357
3.42249686 0.3087282
1.1785157 0.7194875
N P
0.43449114 1.0000000
N P
0.15193747 1.0000000
N D
1.7291770 1.0000000
N D
0.5083460 1.0000000
N F
1.1635804 1.0000000
end
basis "O_TZP" SPHERICAL
O S
12870.84508387 0.0018613
1952.24777235 0.0140129
454.02969464 0.0696960
130.28372806 0.2644031
42.7927326 0.7323917
O S
15.44629006 0.5962536
5.87766148 0.4440186
O S
1.53426392 1.0000000
O S
0.81600697 1.0000000
O S
0.2601108 1.0000000
O P
63.35247031 0.0119925
14.66997581 0.0826028
4.46631945 0.3191903
1.53127988 0.7081524
O P
0.5440053 1.0000000
O P
0.1799847 1.0000000
O D
2.3901600 1.0000000
O D
0.6818330 1.0000000
O F
1.5109480 1.0000000
end
basis "F_TZP" SPHERICAL
F S
16736.04332217 0.0018033
2517.47266937 0.0138540
575.9521789 0.0702102
164.57735695 0.2653447
54.27385737 0.7310817
F S
19.67931067 0.5966610
7.49543072 0.4435267
F S
1.88568025 1.0000000
F S
0.97986789 1.0000000
F S
0.32385317 1.0000000
F P
80.49602312 0.0122694
18.6539934 0.0854197
5.70273743 0.3260431
1.95547755 0.7002175
F P
0.68295355 1.0000000
F P
0.22044626 1.0000000
F D
3.18146999 1.0000000
F D
0.8903242 1.0000000
F F
1.99355999 1.0000000
end
basis "Ne_TZP" SPHERICAL
Ne S
21250.97587273 0.0017810
3196.05873935 0.0136806
731.88070941 0.0692910
209.23827464 0.2629480
68.88165241 0.7340352
Ne S
24.87591417 0.5932107
9.4238370 0.4474902
Ne S
2.34631312 1.0000000
Ne S
1.19871952 1.0000000
Ne S
0.39905375 1.0000000
Ne P
99.44983978 0.0125490
23.1005548 0.0877358
7.09608648 0.3308130
2.4372660 0.6942016
Ne P
0.84289049 1.0000000
Ne P
0.2677861 1.0000000
Ne D
4.0917000 1.0000000
Ne D
1.1295300 1.0000000
Ne F
2.60614994 1.0000000
end
basis "Na_TZP" SPHERICAL
Na S
46910.10147426 0.0015161
7291.75859272 0.0110963
1718.48615212 0.0555093
486.97431849 0.2318621
153.75560971 0.7744116
Na S
2.55257801 0.4229586
0.97487933 0.6164537
Na S
53.40539255 1.0000000
Na S
20.47969926 1.0000000
Na S
8.21230427 1.0000000
Na S
0.38623451 1.0000000
Na S
0.06592569 1.0000000
Na S
0.02575331 1.0000000
Na P
229.39834725 -0.0025691
56.79793674 -0.0175366
19.04910274 -0.0744063
6.96028206 -0.2272533
2.61593085 -0.4157517
0.98316335 -0.4569710
Na P
0.36950907 1.0000000
Na P
0.13887514 1.0000000
Na P
0.05219440 1.0000000
Na P
0.01961658 1.0000000
Na D
0.1404500 1.0000000
Na D
0.0300040 1.0000000
Na F
0.1413500 1.0000000
end
basis "Mg_TZP" SPHERICAL
Mg S
55205.89651437 0.0017771
8794.40867233 0.0127404
2064.30589033 0.0642417
610.28662223 0.2375529
208.80576404 0.7573511
Mg S
3.17030291 0.4201610
1.20799912 0.6193401
Mg S
73.57500419 1.0000000
Mg S
27.15484646 1.0000000
Mg S
10.42300329 1.0000000
Mg S
0.49182585 1.0000000
Mg S
0.15228159 1.0000000
Mg S
0.05296776 1.0000000
Mg P
251.65039296 0.0029924
68.19093282 0.0179628
22.91892841 0.0816165
8.04390837 0.2576142
2.90724837 0.4508870
1.08098933 0.3921255
Mg P
0.40250592 1.0000000
Mg P
0.1871165 1.0000000
Mg P
0.07096954 1.0000000
Mg P
0.02820227 1.0000000
Mg D
0.1940100 1.0000000
Mg D
0.0643323 1.0000000
Mg F
0.1538100 1.0000000
end
basis "Al_TZP" SPHERICAL
Al S
57132.22963598 0.0009145
9063.64438492 0.0157339
2263.95575717 0.0595883
692.94898317 0.2382978
231.00443137 0.7597123
Al S
4.03213935 0.3958396
1.64510071 0.6378705
Al S
83.58006097 1.0000000
Al S
32.02815603 1.0000000
Al S
12.5667152 1.0000000
Al S
0.73792944 1.0000000
Al S
0.21471657 1.0000000
Al S
0.07346639 1.0000000
Al P
531.61492956 0.0014229
126.26091718 0.0116678
39.68444153 0.0587814
14.23986945 0.1978245
5.53289991 0.4064100
2.24017199 0.4886646
Al P
0.9296326 1.0000000
Al P
0.32905366 1.0000000
Al P
0.12452688 1.0000000
Al P
0.04497926 1.0000000
Al D
0.33354002 1.0000000
Al D
0.1191200 1.0000000
Al F
0.2799440 1.0000000
end
basis "Si_TZP" SPHERICAL
Si S
90425.63194729 0.0015440
13923.4981189 0.0114892
3272.10058588 0.0570526
941.40996064 0.2334038
304.95812555 0.7700180
Si S
5.20046278 0.3486994
2.23311879 0.6798295
Si S
109.34856241 1.0000000
Si S
41.38106607 1.0000000
Si S
15.91806817 1.0000000
Si S
1.0044599 1.0000000
Si S
0.29730731 1.0000000
Si S
0.10188298 1.0000000
Si P
514.37681176 0.0018844
140.2051930 0.0120681
47.48042551 0.0571845
17.58334578 0.1916339
6.9619908 0.4014596
2.86320541 0.4951609
Si P
1.20986159 1.0000000
Si P
0.46011558 1.0000000
Si P
0.17324322 1.0000000
Si P
0.0631557 1.0000000
Si D
0.4605976 1.0000000
Si D
0.1620190 1.0000000
Si F
0.3749920 1.0000000
end
basis "P_TZP" SPHERICAL
P S
105893.2073792 0.0016284
16320.82641806 0.0119944
3893.86142814 0.0580727
1144.86989448 0.2305152
375.27561109 0.7707008
P S
6.21597163 -0.6488846
2.7094359 -0.3780598
P S
133.22484399 1.0000000
P S
49.70707715 1.0000000
P S
19.0165987 1.0000000
P S
1.94617654 1.0000000
P S
0.36434903 1.0000000
P S
0.13790009 1.0000000
P P
653.90840732 0.0016951
167.62588955 0.0121472
55.45135875 0.0582630
20.55820884 0.1937807
8.19725119 0.4038282
3.41519163 0.4879686
P P
1.47928869 1.0000000
P P
0.6028825 1.0000000
P P
0.22679656 1.0000000
P P
0.08312664 1.0000000
P D
0.6183750 1.0000000
P D
0.2144150 1.0000000
P F
0.4862304 1.0000000
end
basis "S_TZP" SPHERICAL
S S
131334.98114592 0.0016568
20181.90041917 0.0122389
4835.70463137 0.0585215
1439.7381539 0.2288037
476.15426264 0.7710923
S S
3.37495581 -0.6366236
1.51749916 -0.3903950
S S
168.68252004 1.0000000
S S
62.92253974 1.0000000
S S
24.33329987 1.0000000
S S
6.86573753 1.0000000
S S
0.44651463 1.0000000
S S
0.16174242 1.0000000
S P
754.1523594 0.0016843
193.63344693 0.0120611
64.14106193 0.0581962
23.75714449 0.1952336
9.45234322 0.4084056
3.93996824 0.4820176
S P
1.72080555 1.0000000
S P
0.77076298 1.0000000
S P
0.28737379 1.0000000
S P
0.1011323 1.0000000
S D
0.7813370 1.0000000
S D
0.2648390 1.0000000
S F
0.5837900 1.0000000
end
basis "Cl_TZP" SPHERICAL
Cl S
181678.82698244 0.0013794
27435.27709666 0.0105598
6322.37997866 0.0540819
1795.44303926 0.2249075
575.0790025 0.7806878
Cl S
4.08968894 -0.6303004
1.84597271 -0.3966380
Cl S
201.17812871 1.0000000
Cl S
74.61037542 1.0000000
Cl S
28.63265512 1.0000000
Cl S
8.23556833 1.0000000
Cl S
0.54888997 1.0000000
Cl S
0.19788882 1.0000000
Cl P
859.87676601 0.0016947
218.96050941 0.0123347
72.36853323 0.0595117
26.91710141 0.1978127
10.77497489 0.4105647
4.5232396 0.4752120
Cl P
1.9871673 1.0000000
Cl P
0.90649824 1.0000000
Cl P
0.33862386 1.0000000
Cl P
0.1192500 1.0000000
Cl D
0.9751542 1.0000000
Cl D
0.32573949 1.0000000
Cl F
0.72996999 1.0000000
end
basis "Ar_TZP" SPHERICAL
Ar S
163430.88636138 0.0018819
24462.98316426 0.0144019
5847.3915545 0.0668252
1838.33954786 0.2332980
646.47797239 0.7560303
Ar S
233.37419769 0.3668742
87.35339236 0.6717833
Ar S
35.25747909 1.0000000
Ar S
14.90945611 1.0000000
Ar S
5.16577808 1.0000000
Ar S
2.13251221 1.0000000
Ar S
0.66446873 1.0000000
Ar S
0.23088302 1.0000000
Ar P
1434.65644528 0.0009605
344.67516841 0.0078136
111.24392588 0.0412965
39.84545454 0.1614339
15.22684292 0.3997146
6.12548056 0.5354572
Ar P
2.61266778 1.0000000
Ar P
1.09059943 1.0000000
Ar P
0.40193082 1.0000000
Ar P
0.14113163 1.0000000
Ar D
1.1910940 1.0000000
Ar D
0.3931550 1.0000000
Ar F
0.90998994 1.0000000
end
basis "K_TZP" SPHERICAL
K S
428242.30424475 0.0001877
65580.1599402 0.0013967
15724.19413173 0.0066209
4872.57135995 0.0240482
1690.37044379 0.0836524
598.8007531 0.2709211
218.82354539 0.6973223
K S
4.63827453 -0.7910399
2.08136315 -0.2287964
K S
84.45415215 1.0000000
K S
34.00275517 1.0000000
K S
10.41692419 1.0000000
K S
0.74500339 1.0000000
K S
0.28931658 1.0000000
K S
0.03508468 1.0000000
K S
0.01510794 1.0000000
K P
2570.2521092 0.0015772
642.60993702 0.0119879
222.4540569 0.0585185
85.30416109 0.2417230
34.01212437 0.7678126
K P
14.08906645 0.4876746
6.05154655 0.5646352
K P
1.10953771 0.4078963
0.4515954 0.5090201
0.17668488 0.1926648
K P
2.67407506 1.0000000
K P
1.0769830 1.0000000
K P
0.0375710 1.0000000
K D
0.57805998 1.0000000
K D
0.0919200 1.0000000
K F
0.4513650 1.0000000
end
basis "Ca_TZP" SPHERICAL
Ca S
502156.43635907 0.0001864
77161.57170187 0.0013813
18494.2633657 0.0065822
5704.10665829 0.0240595
1983.41527239 0.0828156
709.03282348 0.2667645
260.34379921 0.7012548
Ca S
5.6374806 0.7250317
2.61572246 0.2967466
Ca S
100.13007953 1.0000000
Ca S
39.92937639 1.0000000
Ca S
12.24168235 1.0000000
Ca S
0.9133347 1.0000000
Ca S
0.37450407 1.0000000
Ca S
0.06817094 1.0000000
Ca S
0.02739488 1.0000000
Ca P
3357.47196305 0.0003367
824.07694278 0.0026750
283.71829232 0.0130102
111.35681721 0.0521147
45.58875729 0.1695694
19.24822394 0.3837893
8.34838921 0.5193456
Ca P
0.61370116 0.7599749
0.24079998 0.2899168
Ca P
3.71552342 1.0000000
Ca P
1.4938680 1.0000000
Ca P
0.0660000 1.0000000
Ca P
0.0235000 1.0000000
Ca D
3.4694000 1.0000000
Ca D
0.7173000 1.0000000
Ca D
0.15552959 1.0000000
Ca D
0.07339198 1.0000000
Ca F
0.12801489 1.0000000
end
basis "Sc_TZP" SPHERICAL
Sc S
605916.5255656 0.0001758
92019.5154601 0.0013166
22175.41439313 0.0061531
6936.8964504 0.0221907
2401.91423272 0.0787486
843.00307187 0.2622433
304.1681387 0.7111752
Sc S
6.44408249 0.7179120
3.00072913 0.3039865
Sc S
115.31901425 1.0000000
Sc S
45.46057506 1.0000000
Sc S
13.81085805 1.0000000
Sc S
1.06543674 1.0000000
Sc S
0.43727328 1.0000000
Sc S
0.07749891 1.0000000
Sc S
0.03042401 1.0000000
Sc P
2720.38790516 0.0019267
674.78077209 0.0148071
234.86636943 0.0686858
93.73261226 0.2546559
39.24722635 0.7435003
Sc P
16.90317148 0.4975834
7.49344569 0.5512435
Sc P
1.46959989 0.4468526
0.62560248 0.4990286
0.25120559 0.1491527
Sc P
3.38297427 1.0000000
Sc P
1.2961925 1.0000000
Sc P
0.12122172 1.0000000
Sc D
28.68381257 0.0226491
7.99563996 0.1256610
2.71957237 0.3794531
0.99291023 0.6492698
Sc D
0.35646045 1.0000000
Sc D
0.11815477 1.0000000
Sc F
0.78668857 1.0000000
Sc F
0.18780739 1.0000000
Sc G
0.25087235 1.0000000
end
basis "Ti_TZP" SPHERICAL
Ti S
646272.54553266 0.0001775
97343.3308770 0.0013581
22968.17268697 0.0065305
7176.04654679 0.0228821
2544.45710412 0.0784762
902.16205812 0.2624193
325.14411596 0.7104832
Ti S
6.64956473 0.8312864
2.98094682 0.1856946
Ti S
123.23033275 1.0000000
Ti S
48.7107942 1.0000000
Ti S
14.66061377 1.0000000
Ti S
1.14241496 1.0000000
Ti S
0.46857899 1.0000000
Ti S
0.0906186 1.0000000
Ti S
0.03445845 1.0000000
Ti P
3248.36091157 0.0018341
816.32685098 0.0136948
289.50230702 0.0623833
115.61204698 0.2426287
47.48969917 0.7603724
Ti P
20.02919803 0.4884072
8.72643217 0.5622771
Ti P
1.67787534 0.4566990
0.71101331 0.4942138
0.28476984 0.1441350
Ti P
3.88827249 1.0000000
Ti P
0.52792995 1.0000000
Ti P
0.08493546 1.0000000
Ti D
35.56176533 0.0210976
10.01786172 0.1213192
3.43558914 0.3758436
1.26885915 0.6529358
Ti D
0.46038122 1.0000000
Ti D
0.15351032 1.0000000
Ti F
1.31180586 1.0000000
Ti F
0.28660164 1.0000000
Ti G
0.41782879 1.0000000
end
basis "V_TZP" SPHERICAL
V S
382796.5443753 0.0020194
59594.4486003 0.0146232
14466.99258819 0.0684331
4581.00102074 0.2329788
1658.33170955 0.7530499
V S
612.5470466 0.3186128
231.90521916 0.7165268
V S
93.04133845 0.7070989
39.58972598 0.3207430
V S
1.85860318 0.3082062
0.89729298 0.7119358
V S
13.65265007 1.0000000
V S
5.81532637 1.0000000
V S
0.39449284 1.0000000
V S
0.10161519 1.0000000
V S
0.03690766 1.0000000
V P
3273.03183543 0.0020121
808.43188145 0.0155517
283.72213742 0.0699679
115.75624011 0.2515137
49.08382545 0.7434837
V P
21.18405615 0.4975856
9.39221356 0.5512295
V P
1.86413842 0.4613038
0.79866128 0.4895271
0.32150583 0.1424719
V P
4.23078847 1.0000000
V P
0.10355646 1.0000000
V P
0.03402692 1.0000000
V D
41.34893968 0.0208341
11.71269791 0.1220424
4.04341124 0.3780819
1.5052845 0.6487692
V D
0.55113758 1.0000000
V D
0.1852745 1.0000000
V F
1.83294725 1.0000000
V F
0.4100393 1.0000000
V G
0.6523293 1.0000000
end
basis "Cr_TZP" SPHERICAL
Cr S
371840.83425175 -0.0022591
57760.41387925 -0.0162832
14203.9954176 -0.0740509
4651.38191013 -0.2350433
1742.02500652 -0.7438198
Cr S
653.32356524 0.3204225
249.17881444 0.7143420
Cr S
100.48777042 0.7143943
42.94066869 0.3127989
Cr S
2.03695593 0.3341136
0.96661184 0.6879018
Cr S
14.94012939 1.0000000
Cr S
6.38335649 1.0000000
Cr S
0.41745662 1.0000000
Cr S
0.09752435 1.0000000
Cr S
0.0355168 1.0000000
Cr P
3394.79326344 0.0020531
841.97565606 0.0157150
295.6383339 0.0708838
120.04772453 0.2553396
50.82984032 0.7396122
Cr P
21.9956769 0.5134210
9.78856316 0.5350852
Cr P
1.94928403 0.4816761
0.83286577 0.4755775
0.33109419 0.1365759
Cr P
4.38095143 1.0000000
Cr P
0.57849859 1.0000000
Cr P
0.1011135 1.0000000
Cr D
40.30032527 0.0245624
11.34339345 0.1386985
3.89821928 0.3985086
1.41772019 0.6232312
Cr D
0.49405207 1.0000000
Cr D
0.15425405 1.0000000
Cr F
2.45712691 1.0000000
Cr F
0.5893074 1.0000000
Cr G
1.65808166 1.0000000
end
basis "Mn_TZP" SPHERICAL
Mn S
429540.06806178 0.0005903
66091.05492852 0.0044544
15878.41303349 0.0204061
4876.21751062 0.0783264
1706.44219392 0.2383328
627.71058573 0.7347178
Mn S
94.79049527 0.8444216
39.56789996 0.1744926
Mn S
2.07437417 0.4445749
0.90153184 0.5859364
Mn S
238.54978944 1.0000000
Mn S
14.13947137 1.0000000
Mn S
6.06826747 1.0000000
Mn S
0.34113166 1.0000000
Mn S
0.14381634 1.0000000
Mn S
0.04484853 1.0000000
Mn P
4166.05249107 0.0017719
1046.24233843 0.0133538
365.34448672 0.0635076
143.76758603 0.2484773
59.25695741 0.7545719
Mn P
25.29265048 0.5046705
11.15359383 0.5448182
Mn P
2.1838059 0.4905268
0.93649893 0.4701474
0.3858669 0.1293254
Mn P
4.93531643 1.0000000
Mn P
0.40673693 1.0000000
Mn P
0.1286669 1.0000000
Mn D
50.20195531 0.0205102
15.12550375 0.1105763
5.41876842 0.3484869
1.90612247 0.6898816
Mn D
0.72104244 1.0000000
Mn D
0.57896503 1.0000000
Mn F
5.12596497 1.0000000
Mn F
1.13004203 1.0000000
Mn G
1.78996503 1.0000000
end
basis "Fe_TZP" SPHERICAL
Fe S
489363.91999756 0.0005968
76936.88249538 0.0042319
19111.87896905 0.0191663
5953.14711781 0.0712068
2026.23124631 0.2475797
720.41679913 0.7343498
Fe S
109.11058782 0.7286287
46.72162464 0.2976594
Fe S
2.44747866 0.3677907
1.1660482 0.6550487
Fe S
270.92857792 1.0000000
Fe S
17.32120133 1.0000000
Fe S
7.50518249 1.0000000
Fe S
0.53243004 1.0000000
Fe S
0.11921823 1.0000000
Fe S
0.04225089 1.0000000
Fe P
4524.59978956 0.0017564
1117.10671951 0.0137791
383.18041997 0.0669482
150.91292643 0.2547675
63.20731062 0.7451150
Fe P
27.51598778 0.5050259
12.38754653 0.5421365
Fe P
2.50956697 0.4775810
1.07890467 0.4800877
0.43388971 0.1338830
Fe P
5.64019838 1.0000000
Fe P
0.8195210 1.0000000
Fe P
0.42475725 1.0000000
Fe D
57.37689087 0.0216251
16.5000892 0.1282788
5.79890555 0.3870228
2.17706897 0.6341162
Fe D
0.26063792 1.0000000
Fe D
0.79292368 1.0000000
Fe F
3.44034529 1.0000000
Fe F
0.84589748 1.0000000
Fe G
2.25265017 1.0000000
end
basis "Co_TZP" SPHERICAL
Co S
515660.56296198 0.0005473
79136.68588209 0.0040906
18893.17807046 0.0194637
5666.9486778 0.0760884
1915.33483556 0.2505790
692.58658589 0.7273192
Co S
108.30104845 0.7951522
46.24415274 0.2268945
Co S
2.49666399 0.4368043
1.04782429 0.5960151
Co S
265.6946591 1.0000000
Co S
18.13712769 1.0000000
Co S
7.85291973 1.0000000
Co S
0.92129386 1.0000000
Co S
0.20269592 1.0000000
Co S
0.05000013 1.0000000
Co P
5153.06513449 0.0016307
1263.81410825 0.0130886
426.49003119 0.0661160
165.78016797 0.2555168
69.31151396 0.7456924
Co P
30.26348395 0.5023420
13.63305677 0.5447305
Co P
2.7557468 0.4797893
1.18735239 0.4775383
0.47816165 0.1340387
Co P
6.17761123 1.0000000
Co P
0.31340765 1.0000000
Co P
0.12716165 1.0000000
Co D
63.6666883 0.0220408
18.56102053 0.1290119
6.63913369 0.3843690
2.5331891 0.6324399
Co D
0.93187834 1.0000000
Co D
0.30592586 1.0000000
Co F
3.93382585 1.0000000
Co F
0.96271584 1.0000000
Co G
2.4421237 1.0000000
end
basis "Ni_TZP" SPHERICAL
Ni S
373105.93515555 0.0009134
59462.29397186 0.0063858
15372.00196534 0.0258459
5197.42804044 0.0849311
2009.65356806 0.2328509
770.61858677 0.7262716
Ni S
116.59982958 0.8544774
47.93114813 0.1640996
Ni S
2.87511599 0.4321005
1.23408675 0.5990383
Ni S
294.46332193 1.0000000
Ni S
18.39222261 1.0000000
Ni S
7.89683314 1.0000000
Ni S
0.50522737 1.0000000
Ni S
0.14887195 1.0000000
Ni S
0.05021283 1.0000000
Ni P
4816.62180566 0.0021333
1203.67523284 0.0160115
430.57602654 0.0698749
178.46092103 0.2493057
76.37589921 0.7439765
Ni P
33.20021885 0.5018297
14.81701297 0.5462830
Ni P
2.98032196 0.4827393
1.29229106 0.4738154
0.52229171 0.1339948
Ni P
6.62308548 1.0000000
Ni P
0.51697971 1.0000000
Ni P
0.13229171 1.0000000
Ni D
72.04700293 0.0211151
20.2359781 0.1368421
6.93843531 0.4130873
2.64335261 0.6027172
Ni D
1.0917288 1.0000000
Ni D
0.42501219 1.0000000
Ni F
4.53550658 1.0000000
Ni F
1.12300849 1.0000000
Ni G
2.88175814 1.0000000
end
basis "Cu_TZP" SPHERICAL
Cu S
514669.00652938 0.0006390
80118.78677097 0.0046666
19651.16415339 0.0210137
6138.22262671 0.0778557
2144.26659637 0.2474630
784.58098632 0.7264601
Cu S
122.27577734 -0.8232649
51.72737096 -0.1969640
Cu S
3.15166869 0.3964330
1.44088933 0.6296844
Cu S
301.01834491 1.0000000
Cu S
21.04214566 1.0000000
Cu S
9.27995286 1.0000000
Cu S
0.62462574 1.0000000
Cu S
0.11348979 1.0000000
Cu S
0.03941851 1.0000000
Cu P
5815.43818215 0.0016506
1428.1485126 0.0131726
483.76133521 0.0661097
188.24449511 0.2559165
78.57208428 0.7454289
Cu P
34.30720509 0.5144728
15.51857462 0.5322069
Cu P
3.15455527 0.4937634
1.34968484 0.4692823
0.53361631 0.1295138
Cu P
7.05295772 1.0000000
Cu P
0.51818426 1.0000000
Cu P
0.13161631 1.0000000
Cu D
67.4683495 0.0254219
19.40941207 0.1470340
6.83244583 0.4084990
2.5180828 0.6043613
Cu D
0.87575787 1.0000000
Cu D
0.26512479 1.0000000
Cu F
5.24160474 1.0000000
Cu F
1.31383979 1.0000000
Cu G
3.82922469 1.0000000
end
basis "Zn_TZP" SPHERICAL
Zn S
632269.42234494 0.0005414
97330.39213669 0.0040486
23229.36397788 0.0191992
6954.81046053 0.0758474
2345.15364221 0.2481957
845.83553843 0.7300929
Zn S
131.33289185 0.8271188
55.53933652 0.1927921
Zn S
3.26289021 -0.4385668
1.48120849 -0.5888889
Zn S
323.52764293 1.0000000
Zn S
22.53801532 1.0000000
Zn S
9.93529165 1.0000000
Zn S
0.66767333 1.0000000
Zn S
0.1491595 1.0000000
Zn S
0.05038198 1.0000000
Zn P
7605.80726948 0.0015234
1880.87976786 0.0120384
644.74368017 0.0600311
252.82500109 0.2405551
105.07693481 0.7635159
Zn P
45.4277273 0.4669305
20.31898926 0.5804217
Zn P
4.00257206 0.4500796
1.68190398 0.4941440
0.66116514 0.1554178
Zn P
9.28757291 1.0000000
Zn P
0.15416514 1.0000000
Zn P
0.04296514 1.0000000
Zn D
81.07284805 0.0227508
23.52503027 0.1365094
8.37197053 0.3975914
3.1540487 0.6174571
Zn D
1.1394891 1.0000000
Zn D
0.36653517 1.0000000
Zn F
6.01613512 1.0000000
Zn F
1.54356517 1.0000000
Zn G
4.4096349 1.0000000
end
basis "Ga_TZP" SPHERICAL
Ga S
1102887.70666042 0.0002067
170974.0717133 0.0015001
42016.06290563 0.0068335
13337.16526367 0.0241962
4691.67551291 0.0834692
1680.66430812 0.2685469
620.48404958 0.6983694
Ga S
14.18696919 0.9374381
6.2018460 0.0702652
Ga S
241.03180584 1.0000000
Ga S
97.56478545 1.0000000
Ga S
30.85759314 1.0000000
Ga S
2.63208419 1.0000000
Ga S
1.09317366 1.0000000
Ga S
0.20365719 1.0000000
Ga S
0.07224917 1.0000000
Ga P
7740.51474845 0.0020777
2034.6007595 0.0133679
836.42878494 0.0452125
354.15721189 0.2066019
139.00226887 0.8048520
Ga P
55.91296562 0.4444999
23.50780499 0.6091832
Ga P
4.19882541 0.4919156
1.72625524 0.4800092
0.69312138 0.1227969
Ga P
10.23138041 1.0000000
Ga P
0.18144312 1.0000000
Ga P
0.05386066 1.0000000
Ga D
103.71281366 0.0182519
30.01872205 0.1192101
10.64661425 0.3810317
4.04022357 0.6432649
Ga D
1.48916029 1.0000000
Ga D
0.49809605 1.0000000
Ga F
7.04909596 1.0000000
Ga F
1.87567603 1.0000000
Ga G
5.07201575 1.0000000
end
basis "Ge_TZP" SPHERICAL
Ge S
1401429.17054334 0.0001938
218412.57389231 0.0013966
53747.55035209 0.0063836
17054.27506939 0.0225497
6037.72486321 0.0774292
2165.81977184 0.2558287
787.81226270 0.7166215
Ge S
17.83982031 0.7424344
8.34041086 0.2780977
Ge S
297.57998503 1.0000000
Ge S
116.56487083 1.0000000
Ge S
36.74739134 1.0000000
Ge S
3.10890301 1.0000000
Ge S
1.29166443 1.0000000
Ge S
0.25684439 1.0000000
Ge S
0.09315123 1.0000000
Ge P
7745.96880155 0.0004014
1978.69652784 0.0029199
698.74045757 0.0142129
268.69593788 0.0612986
106.56884189 0.2042266
44.03015572 0.4279629
18.94641267 0.4409516
Ge P
3.51145972 -0.6149771
1.49539604 -0.4369854
Ge P
7.99860913 1.0000000
Ge P
0.54986175 1.0000000
Ge P
0.19763607 1.0000000
Ge P
0.06695373 1.0000000
Ge D
116.40740836 0.0176259
33.85135964 0.1166536
12.09879241 0.3774910
4.65158978 0.6456349
Ge D
1.75619118 1.0000000
Ge D
0.60958492 1.0000000
Ge F
7.89378482 1.0000000
Ge F
2.1262849 1.0000000
Ge G
5.83168488 1.0000000
end
basis "As_TZP" SPHERICAL
As S
1620090.77430984 0.0005613
253883.03785313 0.0040434
61960.80113637 0.0188330
19301.82545774 0.0685224
6845.06109429 0.2272573
2489.5656297 0.7527716
As S
907.78913473 0.3485282
340.9711903 0.6889212
As S
22.04553688 -0.5987411
10.1678734 -0.4274838
As S
133.08269345 1.0000000
As S
45.43145026 1.0000000
As S
3.56034848 1.0000000
As S
1.49612889 1.0000000
As S
0.31147788 1.0000000
As S
0.11481262 1.0000000
As P
8404.77216574 0.0003951
2145.26430812 0.0028696
763.94406154 0.0136569
297.03453437 0.0585033
118.37967159 0.1972540
49.00745021 0.4234229
21.13109555 0.4530918
As P
3.97055501 -0.6091241
1.69738079 -0.4426070
As P
9.03213766 1.0000000
As P
0.61430936 1.0000000
As P
0.23723063 1.0000000
As P
0.08411413 1.0000000
As D
133.38455994 0.0163625
38.87139406 0.1113155
13.94346919 0.3710149
5.40455892 0.6534747
As D
2.07293388 1.0000000
As D
0.73614276 1.0000000
As F
8.9493600 1.0000000
As F
2.45826995 1.0000000
As G
6.66377991 1.0000000
end
basis "Se_TZP" SPHERICAL
Se S
1685431.27012521 0.0001985
266562.34630843 0.0014035
65582.07818753 0.0065275
20465.14624585 0.0235454
7323.16994588 0.0769405
2704.24392067 0.2492729
993.08738388 0.7211690
Se S
24.55339156 0.5956581
11.22750778 0.4311927
Se S
373.11567865 1.0000000
Se S
145.63559041 1.0000000
Se S
51.37631704 1.0000000
Se S
3.89979257 1.0000000
Se S
1.66659814 1.0000000
Se S
0.37133202 1.0000000
Se S
0.13749933 1.0000000
Se P
8846.6360627 0.0004014
2264.47556538 0.0029017
806.31901855 0.0138560
313.10698513 0.0593977
124.80120211 0.1995966
51.74110702 0.4249480
22.35933682 0.4484166
Se P
4.22415016 -0.6181284
1.8305453 -0.4316993
Se P
9.54625228 1.0000000
Se P
0.65874681 1.0000000
Se P
0.25855726 1.0000000
Se P
0.09165027 1.0000000
Se D
152.15432734 0.0152087
44.42146636 0.1062069
15.98963157 0.3642433
6.24229525 0.6615534
Se D
2.42536692 1.0000000
Se D
0.87698775 1.0000000
Se F
9.93558771 1.0000000
Se F
2.77256768 1.0000000
Se G
7.47528684 1.0000000
end
basis "Br_TZP" SPHERICAL
Br S
1891721.28453019 0.0001951
299876.69022932 0.0013773
73577.47723328 0.0064598
22821.38425143 0.0234499
8196.66148892 0.0755164
3042.20569848 0.2462844
1114.04711267 0.7251121
Br S
27.88308617 -0.5531038
12.56697986 -0.4753004
Br S
416.79690877 1.0000000
Br S
162.83699705 1.0000000
Br S
60.95282138 1.0000000
Br S
4.29335357 1.0000000
Br S
1.86285469 1.0000000
Br S
0.43306174 1.0000000
Br S
0.1612887 1.0000000
Br P
9319.75302208 0.0004101
2376.91773965 0.0029768
850.05093709 0.0139690
333.27682069 0.0590393
133.67709985 0.1980826
55.61145698 0.4235857
24.09110501 0.4505557
Br P
4.59144998 -0.6213087
2.01522298 -0.4269487
Br P
10.32325402 1.0000000
Br P
0.74175022 1.0000000
Br P
0.29419421 1.0000000
Br P
0.10541093 1.0000000
Br D
168.94701922 0.0146161
49.42559982 0.1035747
17.8625704 0.3605887
7.02094166 0.6652561
Br D
2.76152556 1.0000000
Br D
1.0146000 1.0000000
Br F
10.92125998 1.0000000
Br F
3.0839599 1.0000000
Br G
8.36545878 1.0000000
end
basis "Kr_TZP" SPHERICAL
Kr S
2022523.35400365 0.0001973
321581.18640634 0.0013896
78794.86535957 0.0065438
24367.24826888 0.0238428
8772.54852994 0.0759091
3279.34210313 0.2459612
1206.82451016 0.7243811
Kr S
30.60063891 -0.5317094
13.71423656 -0.4972204
Kr S
452.99814489 1.0000000
Kr S
177.85360115 1.0000000
Kr S
68.90077488 1.0000000
Kr S
4.66990153 1.0000000
Kr S
2.05586155 1.0000000
Kr S
0.49911816 1.0000000
Kr S
0.18661016 1.0000000
Kr P
9855.05799761 0.0004155
2508.11351375 0.0030231
901.31751148 0.0139381
356.87438047 0.0581494
144.01862941 0.1952979
60.11769133 0.4212281
26.11649011 0.4551745
Kr P
5.03265059 -0.6210458
2.2314183 -0.4260816
Kr P
11.26568877 1.0000000
Kr P
0.8376353 1.0000000
Kr P
0.33526405 1.0000000
Kr P
0.12144298 1.0000000
Kr D
189.71163634 0.0137304
55.50837565 0.0995801
20.09178924 0.3552691
7.92942308 0.6718284
Kr D
3.1451067 1.0000000
Kr D
1.16837555 1.0000000
Kr F
11.89747553 1.0000000
Kr F
3.39377546 1.0000000
Kr G
9.31937391 1.0000000
end
basis "Rb_TZP" SPHERICAL
Rb S
3739746.25060054 0.0000830
577563.02778853 0.0006186
139835.54976157 0.0028433
43084.3825577 0.0109623
15426.57773886 0.0326035
6199.15697858 0.0955895
2579.69748769 0.2500748
1047.93768913 0.6883222
Rb S
181.6181516 0.8423483
77.13409799 0.1760115
Rb S
36.5460272 0.4167499
17.59772125 0.6065732
Rb S
8.43711814 -0.0131954
4.19933738 -0.4890020
2.08598299 -0.5220114
Rb S
428.62269126 1.0000000
Rb S
0.80784511 1.0000000
Rb S
0.40392907 1.0000000
Rb S
0.1933064 1.0000000
Rb S
0.02453644 1.0000000
Rb P
18263.34077532 0.0001549
4376.45136895 0.0012921
1530.21368441 0.0059980
636.90362256 0.0232486
268.96109305 0.0864132
114.28545366 0.2446808
50.03178296 0.4327934
22.63971584 0.3635177
Rb P
4.59261339 -0.6806365
2.13332672 -0.3586834
Rb P
0.87560981 0.4126773
0.36688434 0.6400702
Rb P
10.01200025 1.0000000
Rb P
0.14550725 1.0000000
Rb P
0.0632145845 1.0000000
Rb P
0.019539569 1.0000000
Rb D
126.33778704 0.0214803
36.70963339 0.1306672
13.04469742 0.3624986
4.83259033 0.4942769
1.70567407 0.2622603
Rb D
0.41209482 1.0000000
Rb D
0.06849964 1.0000000
Rb F
0.07757084 1.0000000
end
basis "Sr_TZP" SPHERICAL
Sr S
3972749.1575594 0.0000985
629387.57724649 0.0006768
160641.02639354 0.0029714
54133.10173970 0.0091125
20774.61892731 0.0297443
8169.67344831 0.0868799
3215.36713876 0.2754877
1277.89996123 0.6758715
Sr S
224.01514393 0.6891262
100.40338075 0.3362718
Sr S
40.94062522 -0.3844710
18.64615505 -0.6415697
Sr S
7.34438874 0.1407759
3.58734019 0.8701849
Sr S
1.58103436 0.7497568
0.78721657 -1.6385248
Sr S
523.07632825 1.0000000
Sr S
0.32024672 1.0000000
Sr S
0.05461593 1.0000000
Sr S
0.02312861 1.0000000
Sr P
19632.45735341 0.0001513
4833.71011221 0.0012135
1687.67584161 0.0057996
702.5907771 0.0217667
306.6120094 0.0763822
133.93861887 0.2203224
59.30687021 0.4198799
26.89582575 0.4059047
Sr P
5.51818016 -0.6282658
2.57075714 -0.4132194
Sr P
0.45231823 0.7721466
0.18184915 0.2737090
Sr P
11.89604963 1.0000000
Sr P
1.05030044 1.0000000
Sr P
0.06011733 1.0000000
Sr P
0.021858665 1.0000000
Sr D
139.23181355 0.0205098
40.56354360 0.1266829
14.47143525 0.3582849
5.40148217 0.4967848
1.93070186 0.2633920
Sr D
0.41534997 1.0000000
Sr D
0.08607999 1.0000000
Sr F
1.7110000 1.0000000
end
basis "Y_TZP" SPHERICAL
Y S
1019175.125097954 0.0004007
449419.574711232 0.0001809
171662.923365764 0.0025031
49796.091220839 0.0105755
18571.018027471 0.0253440
7548.777457342 0.0911525
2956.394415510 0.2386203
1159.861768860 0.7112264
Y S
471.314790838 0.4515983
198.746043157 0.5811614
Y S
82.449957668 -0.0164365
36.548606326 1.0145370
Y S
1.014104049 -0.2244691
0.445150894 -0.7235202
0.210813786 -0.0826356
Y S
16.610564860 1.0000000
Y S
5.971815267 1.0000000
Y S
2.743571223 1.0000000
Y S
0.070113149 1.0000000
Y S
0.034266669 1.0000000
Y P
9031.459440887 0.0005020
4471.047034087 0.0007282
1874.424209381 0.0055378
745.490992437 0.0233354
311.199933929 0.0836982
137.085910751 0.2227558
62.735106711 0.4082137
29.211720480 0.4044363
Y P
6.135442162 -0.6480929
2.836890969 -0.3933643
Y P
1.109439425 0.4301800
0.482239307 0.6192576
Y P
13.308991139 1.0000000
Y P
0.193122746 1.0000000
Y P
0.0691176865 1.0000000
Y D
314.433106165 0.0046691
95.506201654 0.0350661
36.485620822 0.1368580
15.410215419 0.3177322
6.661436739 0.4378494
2.836213724 0.3068684
Y D
1.064728901 1.0000000
Y D
0.383514444 1.0000000
Y D
0.120179497 1.0000000
Y F
0.5242900 1.0000000
Y F
0.1439650 1.0000000
Y G
0.2036100 1.0000000
end
basis "Zr_TZP" SPHERICAL
Zr S
2881766.00843883 0.0001262
459259.50306019 0.0009174
115812.49914978 0.0037528
38409.93674702 0.0135239
15094.96121921 0.0322024
6324.72914276 0.1077894
2701.92719494 0.2327755
1140.16705548 0.6903144
Zr S
475.25432728 0.4634812
199.72185141 0.5697082
Zr S
79.40724166 0.0143423
37.59776366 0.9870353
Zr S
6.73358822 -0.3182567
3.17684312 -0.7035034
Zr S
1.11296173 -0.3207506
0.55165529 -0.6984549
Zr S
17.45622572 1.0000000
Zr S
0.27156947 1.0000000
Zr S
0.07556233 1.0000000
Zr S
0.02920028 1.0000000
Zr P
24663.76699452 0.0001258
5922.66530443 0.0010606
2038.48063845 0.0051487
848.76029892 0.0193661
368.40572403 0.0703717
159.18932911 0.2109443
69.92875282 0.4177935
31.59687339 0.4234156
Zr P
6.56958849 -0.6323139
3.09912584 -0.4077113
Zr P
0.57150585 0.7969512
0.23089432 0.2451254
Zr P
14.06096181 1.0000000
Zr P
1.30213681 1.0000000
Zr P
0.06604994 1.0000000
Zr D
359.92567155 0.0041444
103.79793357 0.0358607
37.37929762 0.1548002
15.0321095 0.3563795
6.3550516 0.4391444
2.72752584 0.2530055
Zr D
1.02730802 1.0000000
Zr D
0.37303308 1.0000000
Zr D
0.12262696 1.0000000
Zr F
0.68258997 1.0000000
Zr F
0.1856970 1.0000000
Zr G
0.2982622 1.0000000
end
basis "Nb_TZP" SPHERICAL
Nb S
8581145.70489003 0.0000314
1334483.17670774 0.0002251
335751.96683865 0.0009858
108364.02370685 0.0035174
38635.81925873 0.0118029
15200.86086205 0.0328573
6403.00310418 0.0932469
2604.97587129 0.2717258
1037.78813637 0.6699703
Nb S
32.52586244 0.6152670
16.25422037 0.4056465
Nb S
8.21909359 -0.1995278
4.0984597 -0.7055194
1.99299891 -0.1215283
Nb S
424.59583204 1.0000000
Nb S
179.67406691 1.0000000
Nb S
64.52165986 1.0000000
Nb S
0.86911871 1.0000000
Nb S
0.37474072 1.0000000
Nb S
0.05027146 1.0000000
Nb P
23312.28561904 0.0001487
5595.66517542 0.0012498
1933.63166362 0.0059799
804.18342772 0.0226239
347.34982785 0.0809401
150.5830774 0.2310973
66.72624029 0.4247557
30.42864994 0.3864358
Nb P
1.31522777 -0.4230135
0.57542713 -0.5186873
0.23135803 -0.1482279
Nb P
13.43587225 1.0000000
Nb P
6.30136511 1.0000000
Nb P
3.01469641 1.0000000
Nb P
0.10923773 1.0000000
Nb P
0.038408235 1.0000000
Nb D
311.20104364 0.0062905
91.20961137 0.0495466
33.33798508 0.1928070
13.52738611 0.3936532
5.75102961 0.4203029
2.48152082 0.1854851
Nb D
0.94581911 1.0000000
Nb D
0.33878094 1.0000000
Nb D
0.10883689 1.0000000
Nb F
0.89199207 1.0000000
Nb F
0.24816112 1.0000000
Nb G
0.65339081 1.0000000
end
basis "Mo_TZP" 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 S
0.02683661 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 P
0.02183845 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 D
0.2572650 1.0000000
Mo F
1.1248440 1.0000000
Mo F
0.3345650 1.0000000
Mo G
0.8460700 1.0000000
end
basis "Tc_TZP" SPHERICAL
Tc S
3851442.12082243 0.0001044
601894.41062970 0.0007757
147396.56793651 0.0034247
45997.14342831 0.0133530
17076.26837505 0.0341962
7235.03572475 0.1022002
3114.29165127 0.2381455
1291.51272929 0.6895597
Tc S
536.49187914 0.4755495
228.26168657 0.5568936
Tc S
93.49391735 -0.0080302
44.7763713 -0.9927239
Tc S
8.13219362 0.3176392
3.97027924 0.7022555
Tc S
1.40155346 0.3267130
0.73624261 0.6925507
Tc S
21.03068506 1.0000000
Tc S
0.34483142 1.0000000
Tc S
0.08796117 1.0000000
Tc S
0.03305765 1.0000000
Tc P
21361.06367328 0.0002028
5210.47351838 0.0016575
1793.05084933 0.0081227
736.75031487 0.0302435
325.27714879 0.0973914
147.11397361 0.2487065
67.97459788 0.4165866
32.1692613 0.3518359
Tc P
1.57647869 -0.4383684
0.69886263 -0.5145876
0.28297013 -0.1320041
Tc P
14.85651725 1.0000000
Tc P
7.11403457 1.0000000
Tc P
3.46833982 1.0000000
Tc P
0.1347980 1.0000000
Tc D
447.75453162 0.0038414
131.59052776 0.0325961
48.70862067 0.1396272
20.11979669 0.3366093
8.6540380 0.4478713
3.7602712 0.2709887
Tc D
1.42954012 1.0000000
Tc D
0.51671554 1.0000000
Tc D
0.16215083 1.0000000
Tc F
1.28270863 1.0000000
Tc F
0.36762817 1.0000000
Tc G
0.93323847 1.0000000
end
basis "Ru_TZP" SPHERICAL
Ru S
3451353.77133021 0.0000651
551105.70533797 0.0004540
138967.53809736 0.0019887
46179.70036789 0.0063933
18196.70909004 0.0178657
7630.49261861 0.0493781
3268.28428882 0.1288321
1384.25505096 0.3171524
577.78384552 0.5771269
Ru S
45.96443513 0.4570877
21.52457434 0.5685881
Ru S
8.50673097 -0.3508182
4.15824427 -0.6700702
Ru S
1.50459353 0.3873032
0.75114502 0.6333086
Ru S
242.7478171 1.0000000
Ru S
95.96985639 1.0000000
Ru S
0.34819762 1.0000000
Ru S
0.09005437 1.0000000
Ru S
0.03339473 1.0000000
Ru P
19642.60840236 0.0002538
4869.87473272 0.0019849
1737.63901211 0.0087928
756.86571627 0.0291888
348.20633344 0.0922582
158.90824418 0.2425449
73.0738836 0.4181040
34.27481392 0.3609867
Ru P
1.68178301 -0.4480400
0.74854220 -0.4997321
0.30426518 -0.1388506
Ru P
15.56264412 1.0000000
Ru P
7.46068575 1.0000000
Ru P
3.65121502 1.0000000
Ru P
0.13584226 1.0000000
Ru P
0.04162421 1.0000000
Ru D
465.02610233 0.0040302
134.44135236 0.0354913
48.68057637 0.1560031
19.69075263 0.3659746
8.37951695 0.4465826
3.64916324 0.2261633
Ru D
1.43403385 1.0000000
Ru D
0.52668865 1.0000000
Ru D
0.16935441 1.0000000
Ru F
1.41208879 1.0000000
Ru F
0.4107260 1.0000000
Ru G
1.08232217 1.0000000
end
basis "Rh_TZP" SPHERICAL
Rh S
3804470.52408509 0.0000395
600319.14750127 0.0002798
149593.65972544 0.0012531
48336.10505841 0.0042848
18188.07860651 0.0127092
7505.67531466 0.0340741
3219.39994412 0.0891361
1360.38210008 0.2149321
572.67177209 0.3747010
245.20087692 0.3368771
97.56087173 0.0822027
Rh S
12.8076254 0.2779630
6.39415092 0.7393337
Rh S
49.23997807 1.0000000
Rh S
24.26668673 1.0000000
Rh S
3.28414542 1.0000000
Rh S
1.33169217 1.0000000
Rh S
0.5635270 1.0000000
Rh S
0.09145209 1.0000000
Rh S
0.03434845 1.0000000
Rh P
21431.18615042 0.0003251
5282.46137798 0.0025902
1849.44795946 0.0121295
779.23486071 0.0428659
351.40609708 0.1349209
160.37585747 0.3446276
74.16789163 0.5767487
Rh P
7.66467765 -0.7943559
3.75574227 -0.2318652
Rh P
1.7589533 -0.4737399
0.78642667 -0.4833850
0.32120836 -0.1270103
Rh P
34.98601375 1.0000000
Rh P
15.94130814 1.0000000
Rh P
0.04320618 1.0000000
Rh D
472.56616866 0.0043589
137.31861329 0.0377691
49.86286764 0.1639483
20.18028062 0.3767715
8.58941274 0.4449457
3.7393933 0.2063615
Rh D
1.50350395 1.0000000
Rh D
0.55869489 1.0000000
Rh D
0.18184595 1.0000000
Rh F
1.61453202 1.0000000
Rh F
0.48964913 1.0000000
Rh G
1.25202413 1.0000000
end
basis "Pd_TZP" SPHERICAL
Pd S
16394098.88131892 0.0000450
2655217.51483467 0.0003048
678776.31228313 0.0013352
219665.80501989 0.0046805
81242.41475441 0.0145820
32967.5288186 0.0404820
14377.09197917 0.1052113
6473.94850062 0.2664154
2940.43362822 0.6453213
Pd S
1330.28215143 0.3831136
596.99825278 0.6438200
Pd S
55.39081866 -0.4292948
26.04547709 -0.5957261
Pd S
10.42600533 0.3548073
5.28863687 0.6651963
Pd S
268.59901681 1.0000000
Pd S
119.64615224 1.0000000
Pd S
2.29492553 1.0000000
Pd S
1.10893497 1.0000000
Pd S
0.45778304 1.0000000
Pd P
22207.25359508 0.0002394
5471.41335116 0.0019071
1918.49567406 0.0088889
809.61512757 0.0313850
364.89914565 0.0989275
166.27815463 0.2525217
76.83458475 0.4192087
36.22989414 0.3428813
Pd P
1.8308907 -0.4925092
0.81484159 -0.4689774
0.32778734 -0.1239069
Pd P
16.4595431 1.0000000
Pd P
7.91800554 1.0000000
Pd P
3.87111672 1.0000000
Pd P
0.075946835 1.0000000
Pd D
468.32921888 0.0049597
136.08537428 0.0423407
49.37223726 0.1795203
19.90823127 0.3982008
8.41205724 0.4404064
3.5848421 0.1710971
Pd D
1.44637137 1.0000000
Pd D
0.52413985 1.0000000
Pd D
0.16165741 1.0000000
Pd F
1.63574112 1.0000000
Pd F
0.48435811 1.0000000
Pd G
1.35057114 1.0000000
end
basis "Ag_TZP" SPHERICAL
Ag S
1933354.716231458 0.0002610
536064.929087191 0.0005506
227745.827779931 0.0020767
70738.083988609 0.0099739
24468.606984162 0.0298621
9167.058048276 0.1041579
3635.324478977 0.2491994
1492.625006356 0.6861292
Ag S
626.659527641 0.4786072
266.573126951 0.5538807
Ag S
106.496532758 0.0452748
50.521838397 0.9589238
Ag S
1.714629191 -0.4330481
0.706057461 -0.5671712
0.257844322 -0.0442701
Ag S
23.723095344 1.0000000
Ag S
9.027326686 1.0000000
Ag S
4.278042393 1.0000000
Ag S
0.134801578 1.0000000
Ag S
0.049271649 1.0000000
Ag P
17107.148758796 0.0004035
4870.387177132 0.0018298
2407.146303535 0.0054191
987.063094024 0.0283682
403.451299303 0.1000111
177.672244805 0.2521395
82.251309333 0.4149138
39.082245155 0.3509970
Ag P
17.887363062 0.2987454
8.467213162 0.5307062
4.006657577 0.2483106
Ag P
1.897563027 1.0000000
Ag P
0.821877632 1.0000000
Ag P
0.303735793 1.0000000
Ag P
0.0378678965 1.0000000
Ag P
0.11473394825 1.0000000
Ag D
501.383740114 0.0047154
151.394724553 0.0372484
57.551818465 0.1507206
24.361354900 0.3485936
10.696479542 0.4470369
4.745009329 0.2371497
Ag D
1.937273588 1.0000000
Ag D
0.729748582 1.0000000
Ag D
0.237169881 1.0000000
Ag F
2.0294120 1.0000000
Ag F
0.6141945 1.0000000
Ag G
1.6451630 1.0000000
end
basis "Cd_TZP" SPHERICAL
Cd S
1834021.925799246 0.0002627
652410.438011762 0.0005409
196643.061551306 0.0031220
63597.001731472 0.0108340
24337.097220192 0.0308145
9430.018012690 0.1047587
3764.731995088 0.2614361
1567.578467961 0.6709190
Cd S
669.389311313 0.4705744
289.981985771 0.5605305
Cd S
123.421652251 0.0065755
55.415790285 0.9941469
Cd S
10.538249763 0.3907911
5.316831595 0.6292946
Cd S
0.841316152 0.7269330
0.321816396 0.3067736
Cd S
25.639845178 1.0000000
Cd S
1.656184464 1.0000000
Cd S
0.143785579 1.0000000
Cd S
0.048680186 1.0000000
Cd P
16100.538573397 0.0004868
4077.294162925 0.0034697
1614.882168476 0.0110115
812.080304934 0.0304463
387.278771570 0.1011581
177.300362873 0.2586280
82.150981343 0.4195541
38.994293817 0.3317036
Cd P
17.910833888 -0.4218396
8.509952142 -0.6179470
Cd P
2.004202511 -0.5851014
0.999290497 -0.4506231
Cd P
4.034099663 1.0000000
Cd P
0.445731316 1.0000000
Cd P
0.044865658 1.0000000
Cd P
0.135521729 1.0000000
Cd D
544.076274629 0.0043976
166.732896419 0.0342675
63.984534896 0.1404980
27.186326930 0.3375677
11.970318298 0.4491481
5.372281062 0.2548613
Cd D
2.204454399 1.0000000
Cd D
0.849288912 1.0000000
Cd D
0.290103685 1.0000000
Cd F
2.2673870 1.0000000
Cd F
0.6891800 1.0000000
Cd G
1.8094000 1.0000000
end
basis "In_TZP" 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 S
0.03037298 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 P
0.059920725 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 D
0.2022489 1.0000000
In F
2.5757900 1.0000000
In F
0.8041010 1.0000000
In G
2.0399300 1.0000000
end
basis "Sn_TZP" 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 S
0.037691395 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 P
0.02751322 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 D
0.238692665 1.0000000
Sn F
2.9418900 1.0000000
Sn F
0.9448905 1.0000000
Sn G
2.3025000 1.0000000
end
basis "Sb_TZP" SPHERICAL
Sb S
5582873.0153224 0.0003159
879632.17826077 0.0021104
219858.53695954 0.0103324
71510.44516702 0.0299360
27203.56806901 0.1079980
11415.28340729 0.2146967
5056.98602308 0.7090303
Sb S
2212.07133111 0.3240462
954.45988652 0.7031085
Sb S
420.42821589 0.7093170
192.1828529 0.3140283
Sb S
77.80880844 0.3694770
35.70705937 0.6556563
Sb S
14.34975064 0.1821076
7.16562186 0.8306451
Sb S
3.1654841 -0.1676009
1.56291467 -0.8447044
Sb S
0.7447576 1.0000000
Sb S
0.22945256 1.0000000
Sb S
0.08699455 1.0000000
Sb P
26055.67624579 0.0002598
6389.07887714 0.0020864
2239.11857256 0.0096487
946.84224212 0.0340598
422.77056503 0.1093677
190.04772117 0.2753722
87.15850447 0.4266667
41.0051232 0.3029978
Sb P
18.46825096 0.5349053
8.86338104 0.5053475
Sb P
2.03231699 0.7064501
0.96460687 0.3292083
Sb P
4.10560297 1.0000000
Sb P
0.39250261 1.0000000
Sb P
0.16506433 1.0000000
Sb P
0.06393081 1.0000000
Sb D
850.86641522 0.0023310
256.13437409 0.0204763
96.44163194 0.0984059
40.09512809 0.2830268
17.44203029 0.4478942
7.80934835 0.3201314
3.27256056 0.0615441
Sb D
1.33882083 1.0000000
Sb D
0.49916163 1.0000000
Sb D
0.249580815 1.0000000
Sb F
3.24496442 1.0000000
Sb F
1.05774061 1.0000000
Sb G
2.49959355 1.0000000
end
basis "Te_TZP" 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 S
0.052445365 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 P
0.036781165 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 D
0.319406085 1.0000000
Te F
3.5301500 1.0000000
Te F
1.1549950 1.0000000
Te G
2.7535500 1.0000000
end
basis "I_TZP" 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 S
0.05963418 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 P
0.04164052 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 D
0.36012308 1.0000000
I F
3.85297909 1.0000000
I F
1.265860195 1.0000000
I G
2.97888999 1.0000000
end
basis "Xe_TZP" 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 S
0.06885027 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 P
0.04703376 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 D
0.387933225 1.0000000
Xe F
4.02822969 1.0000000
Xe F
1.305589995 1.0000000
Xe G
3.24381999 1.0000000
end
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