/usr/share/nwchem/libraries/aqzp is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar: P. A. Fantin, P. L. Barbieri, A. Canal Neto, and F. E. Jorge, Augmented Gaussian basis sets of triple and quadruple zeta valence quality for the atoms H and from Li to Ar: Applications in HF, MP2, and DFT calculations of molecular dipole moment and dipole (hyper)polarizability, J. Mol. Struct. (Theochem) 810, 103 (2007).
# K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe: L. S. C. Martins, F. A. L. de Souza, G. A. Ceolin, F. E. Jorge, R. C. de Berrêdo, and C. T. Campos, Augmented Gaussian basis sets for the elements K, Sc-Kr, Rb, and Y-Xe: Application in HF, MP2, and DFT calculations of molecular electric properties, Compt. Theor. Chem. 1013, 62 (2013).
#
basis "H_AQZP" SPHERICAL
H S
114.56539174 0.0013352
17.14344486 0.0103806
3.80423282 0.0548548
H S
1.03752199 1.0000000
H S
0.32994305 1.0000000
H S
0.1138142 1.0000000
H S
0.02756672 1.0000000
H P
2.8035900 1.0000000
H P
0.8816880 1.0000000
H P
0.2997440 1.0000000
H P
0.0810793 1.0000000
H D
1.9234900 1.0000000
H D
0.6294740 1.0000000
H D
0.1649830 1.0000000
H F
1.48884099 1.0000000
H F
0.3197780 1.0000000
end
basis "Li_AQZP" SPHERICAL
Li S
5400.68589735 0.0017221
861.76754308 0.0118608
218.61101955 0.0525297
66.57415634 0.2109626
21.07384786 0.7932125
Li S
6.93471434 0.3563834
2.42448822 0.6866889
Li S
0.91838674 1.0000000
Li S
0.3745421 1.0000000
Li S
0.07807489 1.0000000
Li S
0.02902125 1.0000000
Li S
0.01044448 1.0000000
Li P
9.48147600 0.0135752
2.24036769 0.0773522
0.71593636 0.2280041
0.26271171 0.7837819
Li P
0.09640165 1.0000000
Li P
0.03847656 1.0000000
Li P
0.01626165 1.0000000
Li P
0.00813083 1.0000000
Li D
0.309486848 1.0000000
Li D
0.102256236 1.0000000
Li D
0.038628947 1.0000000
Li D
0.018107474 1.0000000
Li F
0.276855839 1.0000000
Li F
0.107900255 1.0000000
Li F
0.040783255 1.0000000
Li G
0.155799709 1.0000000
Li G
0.061826709 1.0000000
end
basis "Be_AQZP" SPHERICAL
Be S
11081.84641376 -0.0016033
1775.8270006 -0.0110258
444.55456321 -0.0506732
131.90745386 -0.2103994
41.3628268 -0.7960492
Be S
13.71566977 0.3478461
4.88023308 0.6934175
Be S
1.88889812 1.0000000
Be S
0.78023196 1.0000000
Be S
0.18460998 1.0000000
Be S
0.06504246 1.0000000
Be S
0.019426908 1.0000000
Be P
31.7623146 0.0078552
7.63693323 0.0545525
2.3635483 0.2259386
0.79269124 0.8060020
Be P
0.28748284 1.0000000
Be P
0.11074806 1.0000000
Be P
0.04282454 1.0000000
Be P
0.012882804 1.0000000
Be D
0.6973400 1.0000000
Be D
0.2189170 1.0000000
Be D
0.0788820 1.0000000
Be D
0.045120696 1.0000000
Be F
0.5352400 1.0000000
Be F
0.1742800 1.0000000
Be F
0.085597291 1.0000000
Be G
0.3584300 1.0000000
Be G
0.160452999 1.0000000
end
basis "B_AQZP" SPHERICAL
B S
15057.32106066 0.0005205
2403.4479364 0.0036225
592.38550429 0.0170494
174.58558028 0.0699477
55.4370468 0.2550483
18.6183777 0.7350790
B S
6.57248264 1.0000000
B S
2.3847007 1.0000000
B S
0.66203798 1.0000000
B S
0.27360058 1.0000000
B S
0.09340695 1.0000000
B S
0.0300377 1.0000000
B P
52.72558406 0.0067418
12.32811662 0.0510250
3.71542201 0.2319718
1.25220134 0.8025493
B P
0.49382848 1.0000000
B P
0.2001563 1.0000000
B P
0.07143279 1.0000000
B P
0.0165610 1.0000000
B D
1.01688333 1.0000000
B D
0.68549992 1.0000000
B D
0.43925666 1.0000000
B D
0.17108833 1.0000000
B F
1.0648210 1.0000000
B F
0.8942600 1.0000000
B F
0.3463210 1.0000000
B G
1.0649010 1.0000000
B G
0.6545510 1.0000000
end
basis "C_AQZP" SPHERICAL
C S
25535.64100566 0.0004256
3874.88563411 0.0032401
889.83914982 0.0168330
249.53489613 0.0715124
78.37665196 0.2573716
26.52461695 0.7319293
C S
9.46481133 1.0000000
C S
3.45700753 1.0000000
C S
0.92203194 1.0000000
C S
0.38287565 1.0000000
C S
0.13146357 1.0000000
C S
0.0429200 1.0000000
C P
79.21495996 0.0065854
18.37494849 0.0516107
5.55857744 0.2393343
1.9048429 0.7944030
C P
0.73145146 1.0000000
C P
0.28576367 1.0000000
C P
0.10155377 1.0000000
C P
0.0321550 1.0000000
C D
1.74162666 1.0000000
C D
0.68952943 1.0000000
C D
0.25867476 1.0000000
C D
0.11964894 1.0000000
C F
1.4058000 1.0000000
C F
0.5166510 1.0000000
C F
0.21051009 1.0000000
C G
1.0134700 1.0000000
C G
0.4320070 1.0000000
end
basis "N_AQZP" SPHERICAL
N S
33756.09280183 0.0004414
5171.54456387 0.0033069
1201.58270859 0.0169104
339.89996302 0.0713258
107.18829283 0.2566492
36.34285747 0.7324220
N S
13.0124189 1.0000000
N S
4.76935355 1.0000000
N S
1.26608685 1.0000000
N S
0.51561424 1.0000000
N S
0.17548216 1.0000000
N S
0.0509600 1.0000000
N P
111.36093291 0.0064572
25.79833493 0.0515731
7.82929062 0.2430571
2.70129304 0.7905273
N P
1.02623864 1.0000000
N P
0.39312803 1.0000000
N P
0.13795767 1.0000000
N P
0.0389010 1.0000000
N D
2.6737200 1.0000000
N D
1.0050355 1.0000000
N D
0.3660760 1.0000000
N D
0.12049776 1.0000000
N F
2.0306010 1.0000000
N F
0.7213290 1.0000000
N F
0.28861446 1.0000000
N G
1.4543700 1.0000000
N G
0.5949019 1.0000000
end
basis "O_AQZP" SPHERICAL
O S
44147.8322946 0.0004417
6765.02954553 0.0033083
1572.27028683 0.0169086
444.9790091 0.0712924
140.4452637 0.2564407
47.69826313 0.7324930
O S
17.15907213 1.0000000
O S
6.33918778 1.0000000
O S
1.74427248 1.0000000
O S
0.70880065 1.0000000
O S
0.23992974 1.0000000
O S
0.0681800 1.0000000
O P
137.95232259 0.0066831
31.96710724 0.0534136
9.73144594 0.2509601
3.3775634 0.7822321
O P
1.27008334 1.0000000
O P
0.47167423 1.0000000
O P
0.15927889 1.0000000
O P
0.0483890 1.0000000
O D
3.78520234 1.0000000
O D
1.36599065 1.0000000
O D
0.47681133 1.0000000
O D
0.1631610 1.0000000
O F
2.6656900 1.0000000
O F
0.88935698 1.0000000
O F
0.3436600 1.0000000
O G
1.91794008 1.0000000
O G
0.73334808 1.0000000
end
basis "F_AQZP" SPHERICAL
F S
55735.95982409 0.0004422
8543.68079426 0.0033115
1985.63391851 0.0169275
561.92926801 0.0713861
177.44305676 0.2565714
60.3602286 0.7321740
F S
21.79266972 1.0000000
F S
8.08688312 1.0000000
F S
2.24808494 1.0000000
F S
0.9099084 1.0000000
F S
0.30780163 1.0000000
F S
0.0856300 1.0000000
F P
170.24080575 0.0068732
39.45428961 0.0550643
12.05744104 0.2575174
4.21340179 0.7750166
F P
1.58432336 1.0000000
F P
0.58444536 1.0000000
F P
0.19493884 1.0000000
F P
0.0600530 1.0000000
F D
4.59567366 1.0000000
F D
1.63825833 1.0000000
F D
0.57420786 1.0000000
F D
0.2022000 1.0000000
F F
3.5548300 1.0000000
F F
1.1778600 1.0000000
F F
0.4789100 1.0000000
F G
2.4584300 1.0000000
F G
0.9417270 1.0000000
end
basis "Ne_AQZP" SPHERICAL
Ne S
69922.03113438 0.0004323
10640.81399898 0.0032769
2452.06599575 0.0169343
690.22655546 0.0716747
217.74966925 0.2571169
74.20647896 0.7313902
Ne S
26.89151172 1.0000000
Ne S
10.01978382 1.0000000
Ne S
2.80619223 1.0000000
Ne S
1.13103641 1.0000000
Ne S
0.38188932 1.0000000
Ne S
0.102883176 1.0000000
Ne P
207.15692607 0.0070250
48.08163921 0.0563029
14.75885757 0.2620021
5.18464792 0.7698918
Ne P
1.96025404 1.0000000
Ne P
0.7252328 1.0000000
Ne P
0.23949343 1.0000000
Ne P
0.071091861 1.0000000
Ne D
6.4350000 1.0000000
Ne D
2.2404209 1.0000000
Ne D
0.7596000 1.0000000
Ne D
0.226455445 1.0000000
Ne F
4.5896400 1.0000000
Ne F
1.5282100 1.0000000
Ne F
0.581370158 1.0000000
Ne G
3.1008000 1.0000000
Ne G
1.1089115 1.0000000
end
basis "Na_AQZP" SPHERICAL
Na S
94871.60121392 0.0015373
14615.65270614 0.0112932
3517.76343517 0.0539595
1045.84926241 0.2156446
338.64237449 0.7873777
Na S
115.75803273 0.3370570
42.2076173 0.7017991
Na S
16.50521544 1.0000000
Na S
6.74292301 1.0000000
Na S
2.33018444 1.0000000
Na S
0.8937335 1.0000000
Na S
0.3567372 1.0000000
Na S
0.06665744 1.0000000
Na S
0.0258154 1.0000000
Na S
0.0108854 1.0000000
Na P
250.18984258 0.0024206
66.48657184 0.0138066
24.11466110 0.0579898
8.74638087 0.2001814
3.25151161 0.4136569
1.20153511 0.4948622
Na P
0.44400476 1.0000000
Na P
0.16407363 1.0000000
Na P
0.06063033 1.0000000
Na P
0.02240480 1.0000000
Na P
0.00827927 1.0000000
Na D
0.048255925 1.0000000
Na D
0.200945227 1.0000000
Na D
0.110008852 1.0000000
Na D
0.018526852 1.0000000
Na F
0.103407613 1.0000000
Na F
0.224661281 1.0000000
Na F
0.037771281 1.0000000
Na G
0.202805758 1.0000000
Na G
0.067575758 1.0000000
end
basis "Mg_AQZP" SPHERICAL
Mg S
99758.47868406 0.0015680
15044.04010697 0.0119420
3533.33105973 0.0585833
1050.67827966 0.2262241
351.24641765 0.7728391
Mg S
124.33167843 0.3471784
46.39572169 0.6906535
Mg S
18.98728849 1.0000000
Mg S
8.70232478 1.0000000
Mg S
2.74436367 1.0000000
Mg S
1.13837086 1.0000000
Mg S
0.50105589 1.0000000
Mg S
0.12411409 1.0000000
Mg S
0.04722861 1.0000000
Mg S
0.0092300 1.0000000
Mg P
414.77813103 0.0015549
97.44433577 0.0128608
30.32893988 0.0639317
10.83260082 0.2078216
4.18472237 0.4090570
1.67223816 0.4771238
Mg P
0.68434651 1.0000000
Mg P
0.25072067 1.0000000
Mg P
0.10184345 1.0000000
Mg P
0.04374543 1.0000000
Mg P
0.01948153 1.0000000
Mg P
0.006870586 1.0000000
Mg D
0.5024100 1.0000000
Mg D
0.1647570 1.0000000
Mg D
0.0598300 1.0000000
Mg D
0.018410172 1.0000000
Mg F
0.4164400 1.0000000
Mg F
0.1324800 1.0000000
Mg F
0.048682165 1.0000000
Mg G
0.1890200 1.0000000
Mg G
0.053807588 1.0000000
end
basis "Al_AQZP" SPHERICAL
Al S
129723.40900444 0.0015810
19397.04720580 0.0121835
4541.96673087 0.0596522
1362.39472818 0.2263338
460.80165540 0.7711056
Al S
164.04277276 0.3363559
61.46095883 0.7005726
Al S
25.10631046 1.0000000
Al S
11.10418729 1.0000000
Al S
3.50832056 1.0000000
Al S
1.44700068 1.0000000
Al S
0.60811909 1.0000000
Al S
0.18874525 1.0000000
Al S
0.06784606 1.0000000
Al S
0.02225606 1.0000000
Al P
824.44683347 0.0008709
202.13338555 0.0068778
66.36414466 0.0350874
24.37031175 0.1350210
9.5677739 0.3593883
3.91352352 0.5947089
Al P
1.65302834 1.0000000
Al P
0.71264131 1.0000000
Al P
0.2644241 1.0000000
Al P
0.10595955 1.0000000
Al P
0.04050719 1.0000000
Al P
0.01231919 1.0000000
Al D
0.09172533 1.0000000
Al D
0.42866666 1.0000000
Al D
0.22371833 1.0000000
Al D
0.03035833 1.0000000
Al F
0.1862700 1.0000000
Al F
0.4278130 1.0000000
Al F
0.0741630 1.0000000
Al G
0.3491410 1.0000000
Al G
0.1604310 1.0000000
end
basis "Si_AQZP" SPHERICAL
Si S
176215.85131732 0.0015152
26471.54218954 0.0116249
6189.54811648 0.0573734
1840.70550356 0.2221817
614.59391512 0.7774185
Si S
216.24863788 0.3251876
80.41523061 0.7115678
Si S
32.55756321 1.0000000
Si S
14.04922152 1.0000000
Si S
4.33057743 1.0000000
Si S
1.77883439 1.0000000
Si S
0.70737463 1.0000000
Si S
0.25842697 1.0000000
Si S
0.09247057 1.0000000
Si S
0.03138057 1.0000000
Si P
1218.53846759 0.0006372
288.65048248 0.0054985
91.44147264 0.0305221
32.81428319 0.1245040
12.75117034 0.3505219
5.21459776 0.6138017
Si P
2.21559758 1.0000000
Si P
0.96491358 1.0000000
Si P
0.3669534 1.0000000
Si P
0.14805353 1.0000000
Si P
0.05707829 1.0000000
Si P
0.02000829 1.0000000
Si D
0.12374666 1.0000000
Si D
0.59450943 1.0000000
Si D
0.29245476 1.0000000
Si D
0.01021839 1.0000000
Si F
0.2433000 1.0000000
Si F
0.5697110 1.0000000
Si F
0.1202640 1.0000000
Si G
0.4711000 1.0000000
Si G
0.2694108 1.0000000
end
basis "P_AQZP" SPHERICAL
P S
216397.82570244 0.0015417
32605.09292044 0.0117613
7664.82500246 0.0575834
2292.34193943 0.2218063
768.48785783 0.7772213
P S
271.09457271 0.3181584
100.98096019 0.7180301
P S
40.75736396 1.0000000
P S
17.35136514 1.0000000
P S
5.43733275 1.0000000
P S
2.30628191 1.0000000
P S
0.9635101 1.0000000
P S
0.33645843 1.0000000
P S
0.11990735 1.0000000
P S
0.03807735 1.0000000
P P
1518.52178977 0.0005913
360.67435609 0.0050906
114.82705423 0.0283978
41.35375021 0.1180151
16.09695729 0.3433266
6.60240268 0.6257261
P P
2.82105739 1.0000000
P P
1.23910355 1.0000000
P P
0.48066204 1.0000000
P P
0.19554441 1.0000000
P P
0.07581816 1.0000000
P P
0.02482816 1.0000000
P D
0.1628400 1.0000000
P D
0.8042855 1.0000000
P D
0.3813160 1.0000000
P D
0.0594300 1.0000000
P F
0.3097010 1.0000000
P F
0.7321790 1.0000000
P F
0.1268890 1.0000000
P G
0.6130300 1.0000000
P G
0.2649300 1.0000000
end
basis "S_AQZP" SPHERICAL
S S
251373.75793279 0.0015480
37750.6355577 0.0119029
8806.11787722 0.0589017
2632.06692716 0.2246463
892.12673946 0.7731061
S S
317.6990552 0.3152181
118.71899897 0.7205651
S S
47.94957659 1.0000000
S S
20.3758607 1.0000000
S S
6.34052137 1.0000000
S S
2.69750286 1.0000000
S S
1.08901911 1.0000000
S S
0.41903188 1.0000000
S S
0.14944546 1.0000000
S S
0.04654546 1.0000000
S P
1752.78185715 0.0005807
415.54966952 0.0050304
131.98874869 0.0282621
47.49200543 0.1180568
18.48687604 0.3439220
7.5838037 0.6251513
S P
3.24902393 1.0000000
S P
1.42952715 1.0000000
S P
0.56994531 1.0000000
S P
0.22914489 1.0000000
S P
0.0870482 1.0000000
S P
0.0303282 1.0000000
S D
0.20509134 1.0000000
S D
1.06622065 1.0000000
S D
0.49257133 1.0000000
S D
0.07703233 1.0000000
S F
0.3542700 1.0000000
S F
0.88266698 1.0000000
S F
0.15957707 1.0000000
S G
0.72606508 1.0000000
S G
0.33104508 1.0000000
end
basis "Cl_AQZP" SPHERICAL
Cl S
348885.0892878 0.0015623
51762.31967393 0.0122351
11985.50127725 0.0607094
3621.61633403 0.2251665
1250.4688675 0.7700413
Cl S
446.07229006 0.2962773
164.50216681 0.7390452
Cl S
64.59549732 1.0000000
Cl S
26.32972522 1.0000000
Cl S
7.99425281 1.0000000
Cl S
3.53388994 1.0000000
Cl S
1.53242757 1.0000000
Cl S
0.52713802 1.0000000
Cl S
0.18659624 1.0000000
Cl S
0.05630624 1.0000000
Cl P
1960.85895168 0.0006290
481.90436441 0.0049989
160.82751993 0.0260265
59.67490074 0.1086202
23.39844061 0.3319893
9.57633625 0.6437093
Cl P
4.07948443 1.0000000
Cl P
1.7869803 1.0000000
Cl P
0.70946527 1.0000000
Cl P
0.28222949 1.0000000
Cl P
0.1060451 1.0000000
Cl P
0.0374451 1.0000000
Cl D
0.25192866 1.0000000
Cl D
1.34771833 1.0000000
Cl D
0.60989786 1.0000000
Cl D
0.09607786 1.0000000
Cl F
0.4411500 1.0000000
Cl F
1.0879700 1.0000000
Cl F
0.2181600 1.0000000
Cl G
0.8800600 1.0000000
Cl G
0.4144600 1.0000000
end
basis "Ar_AQZP" SPHERICAL
Ar S
360155.04628199 0.0013854
53234.97836023 0.0109253
12153.55013735 0.0560629
3527.65070309 0.2233198
1170.50751168 0.7782147
Ar S
416.43997303 0.3146907
157.03913416 0.7204578
Ar S
63.67185956 1.0000000
Ar S
26.90726266 1.0000000
Ar S
8.59253091 1.0000000
Ar S
3.75985178 1.0000000
Ar S
1.54584954 1.0000000
Ar S
0.60135631 1.0000000
Ar S
0.21306255 1.0000000
Ar S
0.0431300 1.0000000
Ar P
1610.4219968 0.0009635
394.24553061 0.0076010
132.3929622 0.0370052
50.8773657 0.1348929
20.92775754 0.3527645
8.92655737 0.5918487
Ar P
3.94047465 1.0000000
Ar P
1.78904991 1.0000000
Ar P
0.72894503 1.0000000
Ar P
0.30009745 1.0000000
Ar P
0.11603048 1.0000000
Ar P
0.043770723 1.0000000
Ar D
0.2932810 1.0000000
Ar D
1.7374409 1.0000000
Ar D
0.7464200 1.0000000
Ar D
0.117280139 1.0000000
Ar F
0.5957400 1.0000000
Ar F
1.4277900 1.0000000
Ar F
0.264721162 1.0000000
Ar G
1.0539400 1.0000000
Ar G
0.509539539 1.0000000
end
basis "K_AQZP" SPHERICAL
K S
502601.46805973 0.0002097
77029.42847634 0.0015630
18313.23433406 0.0075731
5597.06775179 0.0276487
2026.41879589 0.0848403
780.57670159 0.2567788
299.2952887 0.7017008
K S
116.42194564 0.5194631
46.99119604 0.5171270
K S
19.03931858 1.0000000
K S
7.69562497 1.0000000
K S
3.27142695 1.0000000
K S
0.9969854 1.0000000
K S
0.45596585 1.0000000
K S
0.19485542 1.0000000
K S
0.04536663 1.0000000
K S
0.0190348 1.0000000
K S
0.00513390 1.0000000
K P
2778.07853771 0.0004203
682.45402977 0.0033163
238.12816942 0.0151886
98.41813042 0.0532834
42.95346355 0.1609791
19.04725562 0.3639630
8.56636422 0.5358123
K P
0.78980328 0.5340084
0.3485615 0.5154521
K P
3.93408153 1.0000000
K P
1.74026916 1.0000000
K P
0.14545424 1.0000000
K P
0.04248475 1.0000000
K P
0.01650158 1.0000000
K D
2.3932200 1.0000000
K D
0.5569152 1.0000000
K D
0.2202880 1.0000000
K D
0.03823385 1.0000000
K F
0.9039300 1.0000000
K F
0.4513651 1.0000000
K F
0.05084058 1.0000000
K G
0.8027375 1.0000000
K G
0.06183628 1.0000000
end
basis "Sc_AQZP" SPHERICAL
Sc S
522379.26470047 0.0006507
80375.22728546 0.0048090
19347.31001313 0.0226901
6058.21591464 0.0795120
2232.87883997 0.2418916
863.28480708 0.7244609
Sc S
335.61734385 0.3630453
133.95995108 0.6709115
Sc S
1.4284076 -0.2632987
0.70731772 -0.7537780
Sc S
55.55940374 1.0000000
Sc S
22.98851808 1.0000000
Sc S
9.78183279 1.0000000
Sc S
4.29674035 1.0000000
Sc S
0.33409709 1.0000000
Sc S
0.07913081 1.0000000
Sc S
0.03024907 1.0000000
Sc S
0.01402312 1.0000000
Sc P
4796.28874039 0.0002635
1160.6179422 0.0021838
391.02686598 0.0112336
153.90686826 0.0442901
65.14326158 0.1433946
28.60506386 0.3506111
12.85825522 0.5709274
Sc P
1.21852706 0.5341235
0.53952323 0.5149645
Sc P
5.91473372 1.0000000
Sc P
2.6768697 1.0000000
Sc P
0.22150709 1.0000000
Sc P
0.10870195 1.0000000
Sc P
0.04915110 1.0000000
Sc P
0.02207153 1.0000000
Sc D
42.98491138 0.0156381
12.42775703 0.0964932
4.34994067 0.3323781
1.69203856 0.6981288
Sc D
0.66842424 1.0000000
Sc D
0.25892595 1.0000000
Sc D
0.09306612 1.0000000
Sc D
0.03291937 1.0000000
Sc F
1.44963636 1.0000000
Sc F
0.38839697 1.0000000
Sc F
0.13949387 1.0000000
Sc F
0.05224785 1.0000000
Sc G
0.44578715 1.0000000
Sc G
0.1683626 1.0000000
Sc G
0.07133117 1.0000000
Sc H
0.26476117 1.0000000
Sc H
0.10677611 1.0000000
end
basis "Ti_AQZP" SPHERICAL
Ti S
671943.48590126 0.0001834
109374.5265337 0.0012824
25921.72493593 0.0065109
7505.68519257 0.0264943
2506.40135959 0.0906175
918.95833687 0.2716037
355.43892785 0.6855096
Ti S
1.55683238 -0.2886817
0.75669736 -0.7303493
Ti S
143.08192734 1.0000000
Ti S
59.67388225 1.0000000
Ti S
24.49957347 1.0000000
Ti S
10.64168937 1.0000000
Ti S
4.71623753 1.0000000
Ti S
0.36349518 1.0000000
Ti S
0.08519602 1.0000000
Ti S
0.0320861 1.0000000
Ti S
0.0118264 1.0000000
Ti P
7709.86120886 0.0001146
1781.73502797 0.0011234
520.54132272 0.0080971
172.28280417 0.0432194
63.35061159 0.1617352
25.32567252 0.3902185
10.70426407 0.5339976
Ti P
0.81631681 0.7423068
0.34501095 0.3018568
Ti P
4.72288119 1.0000000
Ti P
1.93095649 1.0000000
Ti P
0.11095699 1.0000000
Ti P
0.04652053 1.0000000
Ti P
0.02155312 1.0000000
Ti D
40.46733765 0.0220996
12.49176958 0.1124665
4.76372661 0.3363701
1.97004682 0.6713671
Ti D
0.80537091 1.0000000
Ti D
0.31786595 1.0000000
Ti D
0.11565987 1.0000000
Ti D
0.05650390 1.0000000
Ti F
2.22034769 1.0000000
Ti F
0.5911078 1.0000000
Ti F
0.18724764 1.0000000
Ti F
0.07841202 1.0000000
Ti G
1.01460858 1.0000000
Ti G
0.27152978 1.0000000
Ti G
0.12474546 1.0000000
Ti H
0.36385878 1.0000000
Ti H
0.17619947 1.0000000
end
basis "V_AQZP" SPHERICAL
V S
559895.80987551 0.0002665
86600.23174381 0.0019188
21506.74439757 0.0086579
6822.02600894 0.0304616
2514.81796171 0.0917321
990.47556353 0.2634067
390.80736724 0.6854231
V S
1.66931423 -0.3249978
0.74810449 -0.6999458
V S
155.08812133 1.0000000
V S
62.87500591 1.0000000
V S
23.51418065 1.0000000
V S
10.80738982 1.0000000
V S
4.86536136 1.0000000
V S
0.32354254 1.0000000
V S
0.09725179 1.0000000
V S
0.03556075 1.0000000
V S
0.01071769 1.0000000
V P
5803.34084746 0.0005759
1423.55299598 0.0046345
493.4213759 0.0221576
203.51523332 0.0815171
88.47080104 0.2702680
38.8023980 0.7095288
V P
17.23790219 -0.5629604
7.8345514 -0.4829156
V P
1.60137225 0.5523058
0.70713311 0.4969582
V P
3.51593935 1.0000000
V P
0.29027818 1.0000000
V P
0.09495633 1.0000000
V P
0.03205313 1.0000000
V D
62.81274939 0.0136809
18.22638504 0.0914014
6.43518788 0.3278712
2.52689569 0.7033017
V D
1.01376556 1.0000000
V D
0.39887428 1.0000000
V D
0.14483086 1.0000000
V D
0.03566988 1.0000000
V F
3.02282409 1.0000000
V F
0.84550365 1.0000000
V F
0.25290582 1.0000000
V F
0.13564373 1.0000000
V G
1.81605160 1.0000000
V G
0.42216976 1.0000000
V G
0.20210441 1.0000000
V H
0.53820800 1.0000000
V H
0.23561737 1.0000000
end
basis "Cr_AQZP" SPHERICAL
Cr S
610839.76782214 0.0007194
95856.56677459 0.0051402
23663.08184425 0.0234516
7474.31772848 0.0829209
2755.41299119 0.2477815
1087.15499866 0.7145004
Cr S
428.58885623 0.3605818
169.84666018 0.6737558
Cr S
11.85592917 -0.4871316
5.34314115 -0.5413648
Cr S
68.81146128 1.0000000
Cr S
25.71632359 1.0000000
Cr S
1.84268817 1.0000000
Cr S
0.80572948 1.0000000
Cr S
0.32935411 1.0000000
Cr S
0.09587082 1.0000000
Cr S
0.03482200 1.0000000
Cr S
0.01168797 1.0000000
Cr P
5750.7618904 0.0002271
1394.40224806 0.0018659
477.87081933 0.0090632
194.78526094 0.0334585
84.5765566 0.1065204
37.43309841 0.2615042
16.86031349 0.4170035
7.78083579 0.3374114
Cr P
3.49112434 1.0000000
Cr P
1.60189789 1.0000000
Cr P
0.71179051 1.0000000
Cr P
0.2918677 1.0000000
Cr P
0.09886580 1.0000000
Cr P
0.0314893 1.0000000
Cr D
58.29286978 0.0167724
16.80718337 0.1062041
5.91968919 0.3540635
2.30030796 0.6727095
Cr D
0.89918296 1.0000000
Cr D
0.33756502 1.0000000
Cr D
0.11610785 1.0000000
Cr D
0.03214312 1.0000000
Cr F
4.19430505 1.0000000
Cr F
1.25508281 1.0000000
Cr F
0.36833758 1.0000000
Cr F
0.15829850 1.0000000
Cr G
2.91599428 1.0000000
Cr G
0.80477386 1.0000000
Cr G
0.27360636 1.0000000
Cr H
1.82994706 1.0000000
Cr H
0.4935788 1.0000000
end
basis "Mn_AQZP" SPHERICAL
Mn S
745841.93643660 0.0002230
113937.69164668 0.0016613
27162.74449258 0.0080204
8302.6929111 0.0293132
2981.19315087 0.0912193
1150.72531308 0.2645056
450.02401626 0.6871245
Mn S
11.73338242 0.5822666
5.34958245 0.4450033
Mn S
178.08551103 1.0000000
Mn S
71.76591316 1.0000000
Mn S
25.11101338 1.0000000
Mn S
1.99866908 1.0000000
Mn S
0.85074219 1.0000000
Mn S
0.30540888 1.0000000
Mn S
0.11899355 1.0000000
Mn S
0.04137262 1.0000000
Mn S
0.01089328 1.0000000
Mn P
7430.42080552 0.0014588
1826.08657918 0.0116851
631.31150139 0.0574447
253.81967907 0.2275057
107.61470524 0.7745033
Mn P
46.99543274 -0.2460949
21.06003289 -0.4466975
9.6901725 -0.4027882
Mn P
2.0109733 0.5542753
0.88655802 0.4951535
Mn P
4.41762404 1.0000000
Mn P
0.36315473 1.0000000
Mn P
0.11034656 1.0000000
Mn P
0.03541863 1.0000000
Mn P
0.0102312 1.0000000
Mn D
53.14329841 0.0271811
8.14562707 0.2508654
3.20367752 0.3494031
1.36057342 0.5637100
Mn D
0.50426349 1.0000000
Mn D
0.18960559 1.0000000
Mn D
0.0691822 1.0000000
Mn D
0.02240288 1.0000000
Mn F
4.74749382 1.0000000
Mn F
1.40300058 1.0000000
Mn F
0.40979291 1.0000000
Mn F
0.11770970 1.0000000
Mn G
2.95010956 1.0000000
Mn G
0.71569319 1.0000000
Mn G
0.17362635 1.0000000
Mn H
2.11939028 1.0000000
Mn H
0.65864537 1.0000000
end
basis "Fe_AQZP" SPHERICAL
Fe S
731708.48260622 0.0002518
114426.68811257 0.0018127
27918.20206429 0.0084642
8719.2339040 0.0301018
3201.73831213 0.0905865
1254.05493695 0.2634562
490.97792022 0.6873129
Fe S
2.19725935 -0.3427980
0.95463781 -0.6847552
Fe S
194.44958658 1.0000000
Fe S
78.90301805 1.0000000
Fe S
28.78728706 1.0000000
Fe S
13.66118933 1.0000000
Fe S
6.26318646 1.0000000
Fe S
0.39137703 1.0000000
Fe S
0.10998881 1.0000000
Fe S
0.03842736 1.0000000
Fe S
0.00894933 1.0000000
Fe P
7826.29968188 0.0015846
1909.9834695 0.0128921
661.59066064 0.0615945
273.92953565 0.2273278
118.98176669 0.7689502
Fe P
52.09818243 -0.2444769
23.23472506 -0.4515911
10.64423981 -0.3998507
Fe P
2.20153844 0.5586368
0.96209981 0.4917468
Fe P
4.82816097 1.0000000
Fe P
0.38747974 1.0000000
Fe P
0.12562229 1.0000000
Fe P
0.03614892 1.0000000
Fe P
0.00964892 1.0000000
Fe D
82.99436295 0.0149191
24.4084458 0.0982587
8.86707504 0.3373209
3.55296127 0.6866712
Fe D
1.41261957 1.0000000
Fe D
0.5192081 1.0000000
Fe D
0.16589825 1.0000000
Fe D
0.05525400 1.0000000
Fe F
5.36138051 1.0000000
Fe F
1.64445029 1.0000000
Fe F
0.48047748 1.0000000
Fe F
0.14038649 1.0000000
Fe G
3.86048815 1.0000000
Fe G
1.08359034 1.0000000
Fe G
0.30415014 1.0000000
Fe H
2.42051017 1.0000000
Fe H
0.85940407 1.0000000
end
basis "Co_AQZP" SPHERICAL
Co S
764355.57617579 0.0007073
119994.36551016 0.0050631
29477.75805825 0.0233192
9271.98698367 0.0825496
3416.45567199 0.2468993
1342.64071632 0.7160087
Co S
527.96791946 0.3638635
209.10192254 0.6706652
Co S
14.19909089 0.5634382
6.54887721 0.4633019
Co S
84.35091149 1.0000000
Co S
29.6272378 1.0000000
Co S
2.27424827 1.0000000
Co S
0.96129869 1.0000000
Co S
0.03524932 1.0000000
Co S
0.37788379 1.0000000
Co S
0.09953514 1.0000000
Co S
0.02115798 1.0000000
Co P
8437.21269379 0.0016221
2064.97514085 0.0131218
716.73026612 0.0625556
297.88770278 0.2283910
130.39183031 0.7665158
Co P
57.28526441 -0.2429232
25.53066422 -0.4540393
11.67860655 -0.3988079
Co P
2.41957216 0.5452616
1.06012328 0.5049653
Co P
5.28838439 1.0000000
Co P
0.42714461 1.0000000
Co P
0.13665109 1.0000000
Co P
0.03710036 1.0000000
Co D
92.02859557 0.0147325
26.85250319 0.0996412
9.71415658 0.3427884
3.89332785 0.6810272
Co D
1.55488239 1.0000000
Co D
0.57440934 1.0000000
Co D
0.18377435 1.0000000
Co D
0.04740972 1.0000000
Co F
6.09545762 1.0000000
Co F
1.88536083 1.0000000
Co F
0.55169089 1.0000000
Co F
0.17128174 1.0000000
Co G
4.59521636 1.0000000
Co G
1.30589179 1.0000000
Co G
0.44268633 1.0000000
Co H
2.80719479 1.0000000
Co H
0.84116461 1.0000000
end
basis "Ni_AQZP" SPHERICAL
Ni S
838371.63189714 0.0002554
131135.16446667 0.0018323
32111.47666786 0.0085154
10063.34840055 0.0301204
3696.85448395 0.0910854
1450.29134031 0.2623830
569.22927595 0.6877027
Ni S
15.21304649 -0.6043760
7.03728314 -0.4215487
Ni S
225.06197219 1.0000000
Ni S
90.67715888 1.0000000
Ni S
31.60539723 1.0000000
Ni S
2.45897092 1.0000000
Ni S
1.03363615 1.0000000
Ni S
0.40299452 1.0000000
Ni S
0.10310477 1.0000000
Ni S
0.03609939 1.0000000
Ni S
0.01324173 1.0000000
Ni P
9044.69545776 0.0002684
2217.53361496 0.0021632
771.39109739 0.0102726
321.00311639 0.0375622
140.38687994 0.1264614
61.6779111 0.3397831
27.52981334 0.5985956
Ni P
2.6167798 0.5530456
1.14856516 0.4969029
Ni P
12.6173932 1.0000000
Ni P
5.71237292 1.0000000
Ni P
0.46324001 1.0000000
Ni P
0.10980873 1.0000000
Ni P
0.03389965 1.0000000
Ni P
0.01062608 1.0000000
Ni D
101.17257503 0.0146434
29.52826363 0.1000947
10.69178358 0.3450330
4.28299609 0.6787335
Ni D
1.70981346 1.0000000
Ni D
0.63218485 1.0000000
Ni D
0.20247862 1.0000000
Ni D
0.05379144 1.0000000
Ni F
6.92371505 1.0000000
Ni F
2.15738954 1.0000000
Ni F
0.63208149 1.0000000
Ni F
0.01633394 1.0000000
Ni G
5.30257716 1.0000000
Ni G
1.5217038 1.0000000
Ni G
0.53185364 1.0000000
Ni H
3.23283677 1.0000000
Ni H
1.03953667 1.0000000
end
basis "Cu_AQZP" SPHERICAL
Cu S
1310121.85039344 0.0001751
198286.03388265 0.0013266
47051.86376054 0.0063781
14401.92127267 0.0237575
4934.85845987 0.0836309
1768.29460325 0.2660285
665.50940634 0.6997072
Cu S
113.16180579 -0.7942918
48.54884159 -0.2275762
Cu S
266.60321183 1.0000000
Cu S
22.84858032 1.0000000
Cu S
10.74681794 1.0000000
Cu S
4.93000318 1.0000000
Cu S
2.12571838 1.0000000
Cu S
0.8614700 1.0000000
Cu S
0.10876384 1.0000000
Cu S
0.03882935 1.0000000
Cu S
0.01064174 1.0000000
Cu P
9603.16947275 0.0015197
2368.20566881 0.0121390
823.55511109 0.0583483
335.47332099 0.2269976
142.98828784 0.7735010
Cu P
62.65302044 -0.2641983
28.27884222 -0.4673716
13.11956609 -0.3615031
Cu P
2.72133089 0.5803508
1.19189102 0.4693936
Cu P
5.96563072 1.0000000
Cu P
0.48032676 1.0000000
Cu P
0.10005624 1.0000000
Cu P
0.0348478 1.0000000
Cu D
96.55597291 0.0170587
28.40681106 0.1102799
10.29610535 0.3616114
4.07231523 0.6591267
Cu D
1.59998363 1.0000000
Cu D
0.59267623 1.0000000
Cu D
0.19556089 1.0000000
Cu D
0.05122435 1.0000000
Cu F
7.90135114 1.0000000
Cu F
2.46431063 1.0000000
Cu F
0.72071578 1.0000000
Cu F
0.21918468 1.0000000
Cu G
6.13168353 1.0000000
Cu G
1.77904928 1.0000000
Cu G
0.63231066 1.0000000
Cu H
3.6710473 1.0000000
Cu H
1.2751795 1.0000000
end
basis "Zn_AQZP" SPHERICAL
Zn S
1287673.96746883 0.0001949
203144.73158552 0.0013851
48919.91062709 0.0067853
14846.13506311 0.0249085
5247.36170939 0.0824479
1951.97886222 0.2531611
733.79871748 0.7110742
Zn S
118.39290857 -0.8633646
49.02862689 -0.1539977
Zn S
286.73160699 1.0000000
Zn S
23.60315206 1.0000000
Zn S
11.31356963 1.0000000
Zn S
5.3684413 1.0000000
Zn S
2.38319834 1.0000000
Zn S
0.99167185 1.0000000
Zn S
0.14988912 1.0000000
Zn S
0.05173019 1.0000000
Zn S
0.01912734 1.0000000
Zn P
10425.01104735 0.0016305
2549.9271935 0.0132051
886.75681087 0.0625610
370.11711648 0.2277047
162.25902624 0.7668594
Zn P
71.44767075 -0.2496615
31.98829125 -0.4637572
14.69805758 -0.3809586
Zn P
3.04748238 0.5738968
1.35067257 0.4746235
Zn P
6.64282402 1.0000000
Zn P
0.55390413 1.0000000
Zn P
0.15054085 1.0000000
Zn P
0.043180283 1.0000000
Zn P
0.007024774 1.0000000
Zn D
121.16579317 0.0142931
35.41514514 0.0997413
12.79289924 0.3490387
5.09382978 0.6762362
Zn D
2.04538947 1.0000000
Zn D
0.78897304 1.0000000
Zn D
0.27504094 1.0000000
Zn D
0.02989210 1.0000000
Zn F
8.83196024 1.0000000
Zn F
2.80786759 1.0000000
Zn F
0.84189057 1.0000000
Zn F
0.21987059 1.0000000
Zn G
7.10010687 1.0000000
Zn G
2.09609018 1.0000000
Zn G
0.72289187 1.0000000
Zn H
4.43693816 1.0000000
Zn H
1.56157891 1.0000000
end
basis "Ga_AQZP" SPHERICAL
Ga S
1298695.83214988 0.0006366
200788.38445919 0.0046702
48285.74608337 0.0223309
14780.05084753 0.0821379
5371.50798106 0.2460879
2119.18558011 0.7178364
Ga S
829.10544236 0.3437479
324.98315635 0.6905154
Ga S
22.84333585 -0.4718769
10.16141481 -0.5573936
Ga S
131.50504969 1.0000000
Ga S
53.42073177 1.0000000
Ga S
3.49354328 1.0000000
Ga S
1.52893833 1.0000000
Ga S
0.62938773 1.0000000
Ga S
0.20380967 1.0000000
Ga S
0.07119027 1.0000000
Ga S
0.02387611 1.0000000
Ga P
7881.79777224 0.0016311
1991.33734901 0.0120712
715.4575141 0.0550504
285.69964443 0.2280894
115.90116624 0.7793250
Ga P
48.52419439 -0.4642759
21.1440597 -0.5859287
Ga P
4.13676571 -0.4551872
1.80182905 -0.5099223
0.78521157 -0.1150601
Ga P
9.42414316 1.0000000
Ga P
0.31754128 1.0000000
Ga P
0.1183740 1.0000000
Ga P
0.04210613 1.0000000
Ga P
0.01245244 1.0000000
Ga D
145.00559148 0.0128258
42.57077667 0.0927254
15.48786932 0.3376040
6.23132603 0.6889053
Ga D
2.54765972 1.0000000
Ga D
1.01237363 1.0000000
Ga D
0.30677989 1.0000000
Ga D
0.04428256 1.0000000
Ga F
10.35859312 1.0000000
Ga F
3.30509595 1.0000000
Ga F
1.00128513 1.0000000
Ga F
0.29002441 1.0000000
Ga G
8.11531575 1.0000000
Ga G
2.43154749 1.0000000
Ga G
0.76147465 1.0000000
Ga H
5.21692573 1.0000000
Ga H
1.83712858 1.0000000
end
basis "Ge_AQZP" SPHERICAL
Ge S
1428331.41235193 0.0002291
222136.0457463 0.0016518
53310.33840171 0.0081074
16279.00951174 0.0289478
5956.79451408 0.0886755
2374.50985191 0.2451992
935.75967668 0.7060485
Ge S
151.85765298 0.8125617
64.90220592 0.2080727
Ge S
369.85702488 1.0000000
Ge S
25.99090938 1.0000000
Ge S
11.50436464 1.0000000
Ge S
3.97606319 1.0000000
Ge S
1.80823543 1.0000000
Ge S
0.79400365 1.0000000
Ge S
0.25523951 1.0000000
Ge S
0.09096514 1.0000000
Ge S
0.03028605 1.0000000
Ge P
8707.26124191 0.0003622
2181.97443925 0.0027212
785.86071668 0.0121852
318.41196863 0.0494230
130.61144595 0.1697990
55.03904871 0.3959554
24.11275851 0.5065728
Ge P
4.75450143 -0.5286213
2.08419008 -0.5216261
Ge P
10.86843257 1.0000000
Ge P
0.91649452 1.0000000
Ge P
0.37338949 1.0000000
Ge P
0.14798203 1.0000000
Ge P
0.05580083 1.0000000
Ge P
0.01915033 1.0000000
Ge D
168.67269253 0.0118420
49.71847065 0.0878077
18.2070202 0.3288259
7.38773192 0.6981815
Ge D
3.06219464 1.0000000
Ge D
1.24311634 1.0000000
Ge D
0.19732005 1.0000000
Ge D
0.05410258 1.0000000
Ge F
11.62631024 1.0000000
Ge F
3.78871689 1.0000000
Ge F
1.1772721 1.0000000
Ge F
0.29703747 1.0000000
Ge G
9.05036738 1.0000000
Ge G
2.73667975 1.0000000
Ge G
0.62956076 1.0000000
Ge H
6.25679303 1.0000000
Ge H
2.36624478 1.0000000
end
basis "As_AQZP" SPHERICAL
As S
1716177.01305992 0.0002088
271584.7419535 0.0014870
65413.66076797 0.0072543
19582.47014536 0.0278405
6912.71789635 0.0872381
2683.27784554 0.2547466
1053.14611886 0.7001116
As S
173.71581347 0.7337194
75.9175561 0.2910611
As S
418.61196114 1.0000000
As S
29.14238395 1.0000000
As S
12.90140705 1.0000000
As S
4.51768445 1.0000000
As S
2.12614937 1.0000000
As S
0.9632715 1.0000000
As S
0.31045504 1.0000000
As S
0.11217054 1.0000000
As S
0.03526822 1.0000000
As P
9635.13525688 0.0003508
2398.53646471 0.0026767
862.02485402 0.0119217
353.03533103 0.0473555
146.4442637 0.1628947
62.18855524 0.3881746
27.42395581 0.5198285
As P
5.45819368 -0.5094803
2.41452693 -0.5396843
As P
12.48556771 1.0000000
As P
1.07587087 1.0000000
As P
0.44568682 1.0000000
As P
0.18176994 1.0000000
As P
0.07052522 1.0000000
As P
0.02291008 1.0000000
As D
193.02875917 0.0110931
57.03900463 0.0839881
20.98852482 0.3221109
8.56796225 0.7053481
As D
3.58907268 1.0000000
As D
1.48198501 1.0000000
As D
0.26945182 1.0000000
As D
0.071388073 1.0000000
As F
12.3678224 1.0000000
As F
4.00163389 1.0000000
As F
1.21181114 1.0000000
As F
0.32527442 1.0000000
As G
10.01660511 1.0000000
As G
3.03889169 1.0000000
As G
0.53685724 1.0000000
As H
7.20413237 1.0000000
As H
2.69433156 1.0000000
end
basis "Se_AQZP" SPHERICAL
Se S
2015991.27464577 0.0005831
319942.80174378 0.0041679
76996.18440198 0.0202347
22912.93627954 0.0796364
8068.37770527 0.2443185
3149.28809031 0.7239801
Se S
1241.78358941 0.3273982
494.37486464 0.7049661
Se S
205.63746625 0.7001008
90.0485096 0.3262663
Se S
33.01979722 1.0000000
Se S
14.65147888 1.0000000
Se S
5.28729276 1.0000000
Se S
2.58108525 1.0000000
Se S
1.1951145 1.0000000
Se S
0.37130084 1.0000000
Se S
0.13497635 1.0000000
Se S
0.04199053 1.0000000
Se P
10434.13729364 0.0003437
2595.11468316 0.0026289
933.79476536 0.0116534
383.9755406 0.0461518
159.55751622 0.1599199
67.75332234 0.3860249
29.86949303 0.5251603
Se P
5.93935851 -0.5082685
2.63411904 -0.5405984
Se P
13.60295522 1.0000000
Se P
1.17291804 1.0000000
Se P
0.49678013 1.0000000
Se P
0.20083001 1.0000000
Se P
0.07684892 1.0000000
Se P
0.02653857 1.0000000
Se D
217.69779484 0.0105474
64.49563172 0.0810730
23.84904162 0.3166529
9.7915055 0.7108974
Se D
4.13808644 1.0000000
Se D
1.73216503 1.0000000
Se D
0.31493910 1.0000000
Se D
0.077897563 1.0000000
Se F
11.20457542 1.0000000
Se F
3.37455764 1.0000000
Se F
0.75327766 1.0000000
Se F
0.29612202 1.0000000
Se G
10.74346368 1.0000000
Se G
3.1970828 1.0000000
Se G
0.58563608 1.0000000
Se H
8.46499684 1.0000000
Se H
3.1954334 1.0000000
end
basis "Br_AQZP" SPHERICAL
Br S
2329484.35354656 -0.0006077
371432.1159543 -0.0042019
89986.59833767 -0.0209803
26870.5723191 -0.0785770
9460.70428706 -0.2573810
3707.64391472 -0.7116060
Br S
1469.4972467 0.3179955
585.11428474 0.7138344
Br S
242.34214779 0.6255677
104.8951208 0.4043322
Br S
37.22805803 1.0000000
Br S
16.69655768 1.0000000
Br S
6.49396884 1.0000000
Br S
3.16231364 1.0000000
Br S
1.4550506 1.0000000
Br S
0.43718409 1.0000000
Br S
0.15966359 1.0000000
Br S
0.04926543 1.0000000
Br P
11360.2672519 0.0003349
2815.59115890 0.0025829
1010.37454429 0.0114911
416.62865112 0.0451703
173.9856566 0.1566063
74.14875404 0.3822641
32.77967357 0.5315631
Br P
6.54130875 -0.4975563
2.91704958 -0.5506053
Br P
14.9743130 1.0000000
Br P
1.3042278 1.0000000
Br P
0.56686278 1.0000000
Br P
0.23116139 1.0000000
Br P
0.0890900 1.0000000
Br P
0.0314360 1.0000000
Br D
242.8128976 0.0101137
72.08159580 0.0787220
26.75801058 0.3123047
11.0353965 0.7153331
Br D
4.69749726 1.0000000
Br D
1.9888282 1.0000000
Br D
0.36160513 1.0000000
Br D
0.090054205 1.0000000
Br F
11.97051996 1.0000000
Br F
3.60342506 1.0000000
Br F
0.75044686 1.0000000
Br F
0.33468830 1.0000000
Br G
11.48436016 1.0000000
Br G
3.33832677 1.0000000
Br G
0.65864639 1.0000000
Br H
9.57795878 1.0000000
Br H
0.83556010 1.0000000
end
basis "Kr_AQZP" SPHERICAL
Kr S
2653676.39131574 0.0000831
423195.86675987 0.0005851
102661.34184817 0.0028345
30672.20723159 0.0110513
10780.38925442 0.0346418
4231.17046949 0.1001899
1684.6319505 0.2833743
671.57170598 0.6544744
Kr S
277.00762222 1.0000000
Kr S
118.60575318 1.0000000
Kr S
41.3125547 1.0000000
Kr S
18.82987548 1.0000000
Kr S
7.87647522 1.0000000
Kr S
3.69313279 1.0000000
Kr S
1.68825448 1.0000000
Kr S
0.50446453 1.0000000
Kr S
0.18523168 1.0000000
Kr S
0.05661719 1.0000000
Kr P
12287.09779232 0.0003297
3035.66112362 0.0025637
1087.69307125 0.0113821
451.41847744 0.0441149
189.86511938 0.1529026
81.26945995 0.3779565
36.03359501 0.5387202
Kr P
7.21310592 -0.4924647
3.23437535 -0.5550268
Kr P
16.51251254 1.0000000
Kr P
1.45257812 1.0000000
Kr P
0.64196404 1.0000000
Kr P
0.26417217 1.0000000
Kr P
0.10280441 1.0000000
Kr P
0.03423799 1.0000000
Kr D
268.68386278 0.0097689
79.93856282 0.0767822
29.79094338 0.3085831
12.34160892 0.7189745
Kr D
5.28987352 1.0000000
Kr D
2.2619811 1.0000000
Kr D
0.89100881 1.0000000
Kr D
0.09909504 1.0000000
Kr F
13.11566106 1.0000000
Kr F
3.9834403 1.0000000
Kr F
0.82940546 1.0000000
Kr F
0.40310276 1.0000000
Kr G
9.08514012 1.0000000
Kr G
1.04387071 1.0000000
Kr G
0.21993938 1.0000000
Kr H
10.64333821 1.0000000
Kr H
4.311824702 1.0000000
end
basis "Rb_AQZP" SPHERICAL
Rb S
3519452.58283965 -0.0000642
595372.89265089 -0.0003979
158277.42171937 -0.0017132
55142.9738135 -0.0047100
22896.85117876 -0.0141706
9650.70640438 -0.0368508
4102.08225117 -0.1114748
1758.40067876 -0.2616250
740.85269499 -0.6552400
Rb S
313.69771054 0.5686630
135.18826647 0.4627153
Rb S
23.64915941 -0.7734643
11.1357268 -0.2450769
Rb S
4.72314263 0.4285849
2.18131961 0.5975738
Rb S
49.68619767 1.0000000
Rb S
0.72945414 1.0000000
Rb S
0.36076665 1.0000000
Rb S
0.17110339 1.0000000
Rb S
0.03295734 1.0000000
Rb S
0.01395377 1.0000000
Rb S
0.00457999 1.0000000
Rb P
23290.60786488 0.0001126
5690.44096933 0.0009207
1947.55703685 0.0046927
798.68795339 0.0176087
358.59728367 0.0586928
161.45249101 0.1776216
72.45845295 0.3896335
33.18207686 0.4862332
Rb P
7.09284943 -0.4829405
3.27680431 -0.5611588
Rb P
0.70517128 0.4928235
0.31019819 0.5568273
Rb P
15.49058148 1.0000000
Rb P
1.48593684 1.0000000
Rb P
0.12832868 1.0000000
Rb P
0.05159998 1.0000000
Rb P
0.01611407 1.0000000
Rb P
0.07798588 1.0000000
Rb D
125.94392709 0.0216068
36.59084291 0.1313051
13.00356031 0.3636215
4.8189384 0.4941988
1.70181202 0.2602818
Rb D
0.92747304 1.0000000
Rb D
0.46986732 1.0000000
Rb D
0.1422079 1.0000000
Rb D
0.03207891 1.0000000
Rb F
0.12797474 1.0000000
Rb F
0.52160842 1.0000000
Rb F
0.03750998 1.0000000
Rb G
0.12239212 1.0000000
Rb G
0.04269988 1.0000000
end
basis "Y_AQZP" SPHERICAL
Y S
4208530.75799019 0.0000327
698825.81856951 0.0002209
174576.99492589 0.0009858
61409.89224565 0.0026345
25779.83330852 0.0077401
10656.35360953 0.0220604
4531.67367219 0.0607254
1965.36238955 0.1489748
839.74510374 0.3495668
361.56364350 0.5130419
Y S
57.83675173 0.3082826
27.77464687 0.7121416
Y S
5.74385112 0.4238846
2.72934697 0.6003837
Y S
156.69217483 1.0000000
Y S
13.32515355 1.0000000
Y S
0.9856287 1.0000000
Y S
0.48609245 1.0000000
Y S
0.22681108 1.0000000
Y S
0.07631014 1.0000000
Y S
0.02932865 1.0000000
Y S
0.0090500 1.0000000
Y P
17959.87495179 0.0001879
4969.05895366 0.0013247
1770.04010243 0.0060826
760.20682526 0.0220526
338.84785624 0.0731824
157.50306513 0.1918597
74.08931382 0.3873367
34.88238961 0.4565978
Y P
7.97866487 -0.4809835
3.87072622 -0.5579510
Y P
0.86780823 0.5470785
0.39317935 0.4993320
Y P
16.48617662 1.0000000
Y P
1.84524396 1.0000000
Y P
0.16398128 1.0000000
Y P
0.0647968 1.0000000
Y D
377.02441414 0.0033053
117.08848707 0.0249594
45.22733882 0.1063896
18.98535272 0.2822611
8.30211135 0.4317088
3.71323969 0.3673829
Y D
1.64557338 1.0000000
Y D
0.63548077 1.0000000
Y D
0.23216705 1.0000000
Y D
0.07691790 1.0000000
Y D
0.03499991 1.0000000
Y F
0.8571458 1.0000000
Y F
0.2637349 1.0000000
Y F
0.1065454 1.0000000
Y F
0.04659097 1.0000000
Y G
0.3406359 1.0000000
Y G
0.13768795 1.0000000
Y G
0.01551702 1.0000000
Y H
0.2264853 1.0000000
Y H
0.09589623 1.0000000
end
basis "Zr_AQZP" SPHERICAL
Zr S
3957921.99538276 0.0000376
667533.27911541 0.0002409
176579.04018383 0.0009959
61852.67208840 0.0029026
25870.72619251 0.0077742
11109.40375712 0.0218002
4804.90855953 0.0587198
2084.95267282 0.1495570
895.18320626 0.3371772
385.2254078 0.5263517
Zr S
30.26666926 0.5646497
14.4803999 0.4596808
Zr S
6.18295089 0.4155884
2.93495455 0.6085937
Zr S
166.91231716 1.0000000
Zr S
62.44235159 1.0000000
Zr S
1.00659152 1.0000000
Zr S
0.48834338 1.0000000
Zr S
0.20576835 1.0000000
Zr S
0.07733708 1.0000000
Zr S
0.0295011 1.0000000
Zr P
18152.55350824 0.0002180
4865.88648011 0.0014543
1815.5893232 0.0064029
777.77329812 0.0229485
359.03742251 0.0705411
169.11416263 0.1911630
79.37378024 0.3876775
37.69782928 0.4565495
Zr P
8.5864300 -0.4894513
4.12214374 -0.5506551
Zr P
0.94412839 0.5630193
0.43636012 0.4810076
Zr P
18.10166568 1.0000000
Zr P
1.9413307 1.0000000
Zr P
0.18191863 1.0000000
Zr P
0.07145562 1.0000000
Zr D
393.9958785 0.0034201
121.75199101 0.0260581
46.92988924 0.1105144
19.69833002 0.2900246
8.57000535 0.4377115
3.79181325 0.3518557
Zr D
1.63799072 1.0000000
Zr D
0.65878172 1.0000000
Zr D
0.25411535 1.0000000
Zr D
0.09115101 1.0000000
Zr D
0.04494991 1.0000000
Zr F
1.1155360 1.0000000
Zr F
0.3525771 1.0000000
Zr F
0.1350150 1.0000000
Zr F
0.066740189 1.0000000
Zr G
0.5816601 1.0000000
Zr G
0.1976100 1.0000000
Zr G
0.0858000 1.0000000
Zr H
0.3176001 1.0000000
Zr H
0.12589991 1.0000000
end
basis "Nb_AQZP" SPHERICAL
Nb S
7986772.15583951 0.0000390
1284903.42597761 0.0002555
325451.04752318 0.0012117
108153.89675858 0.0035199
40061.12794566 0.0135975
16110.17312619 0.0299801
6876.8441376 0.1058195
2901.72025843 0.2310562
1212.25415773 0.6956540
Nb S
505.3957941 0.4567335
211.0680636 0.5768070
Nb S
81.61112439 0.0278962
38.50324007 0.9747718
Nb S
7.12275568 -0.3385703
3.36592723 -0.6838339
Nb S
17.83600264 1.0000000
Nb S
1.17147878 1.0000000
Nb S
0.58066154 1.0000000
Nb S
0.27388507 1.0000000
Nb S
0.0790878 1.0000000
Nb S
0.03074886 1.0000000
Nb S
0.00861999 1.0000000
Nb P
29818.62810071 0.0001111
7407.90918163 0.0008830
2549.23550696 0.0045188
1047.39037356 0.0168477
477.20052399 0.0546644
218.96925705 0.1654770
99.84611123 0.3763287
46.36509232 0.5096630
Nb P
10.05559889 -0.4578078
4.74488091 -0.5836193
Nb P
1.07222122 0.5579421
0.48593642 0.4883190
Nb P
22.00491763 1.0000000
Nb P
2.2219457 1.0000000
Nb P
0.20025051 1.0000000
Nb P
0.05362352 1.0000000
Nb P
0.02018068 1.0000000
Nb D
461.53172459 0.0028138
140.55127077 0.0229919
52.80969103 0.1060644
21.65825165 0.2909822
9.32818565 0.4428100
4.12668414 0.3516725
Nb D
1.78394636 1.0000000
Nb D
0.73148224 1.0000000
Nb D
0.27630406 1.0000000
Nb D
0.09409131 1.0000000
Nb D
0.0297001 1.0000000
Nb F
0.5553932 1.0000000
Nb F
0.2012060 1.0000000
Nb F
1.5549534 1.0000000
Nb F
0.07140211 1.0000000
Nb G
1.0825611 1.0000000
Nb G
0.3458067 1.0000000
Nb G
0.12326544 1.0000000
Nb H
0.7341580 1.0000000
Nb H
0.24447443 1.0000000
end
basis "Mo_AQZP" SPHERICAL
Mo S
8853221.37420794 0.0000379
1392368.70011483 0.0002522
355910.6484217 0.0011786
117447.20708439 0.0035196
43262.35937691 0.0134303
17530.98100755 0.0293500
7450.49177535 0.1054077
3142.71763153 0.2283986
1312.44354014 0.6990433
Mo S
544.07665252 0.4503064
226.56438931 0.5833359
Mo S
89.14707942 0.0084886
41.60762716 0.9923608
Mo S
7.41058578 -0.3603274
3.55385918 -0.6619188
Mo S
19.22552249 1.0000000
Mo S
1.21883141 1.0000000
Mo S
0.59904557 1.0000000
Mo S
0.26478445 1.0000000
Mo S
0.08589245 1.0000000
Mo S
0.03265097 1.0000000
Mo S
0.00789991 1.0000000
Mo P
23929.31676656 0.0001686
6211.53582980 0.0012177
2228.8558589 0.0057699
938.55601027 0.0207715
433.70053764 0.0644266
203.65969482 0.1806518
95.36539765 0.3808367
45.30934018 0.4784156
Mo P
10.21742915 -0.4789001
4.90067252 -0.5611819
Mo P
1.14005468 0.5698459
0.52627171 0.4742080
Mo P
21.85224555 1.0000000
Mo P
2.31210156 1.0000000
Mo P
0.21983519 1.0000000
Mo P
0.097713519 1.0000000
Mo P
0.034022219 1.0000000
Mo P
0.01299991 1.0000000
Mo D
579.88059314 0.0020127
175.77941708 0.0173523
65.95981215 0.0853612
26.9253105 0.2607113
11.47078725 0.4466390
5.01303264 0.3947461
Mo D
2.17024396 1.0000000
Mo D
0.89586843 1.0000000
Mo D
0.34119024 1.0000000
Mo D
0.11633302 1.0000000
Mo D
0.03679989 1.0000000
Mo F
1.7511922 1.0000000
Mo F
0.624073971 1.0000000
Mo F
0.2222873 1.0000000
Mo F
0.07772481 1.0000000
Mo G
1.3059451 1.0000000
Mo G
0.4350817 1.0000000
Mo G
0.1533103 1.0000000
Mo H
0.9171006 1.0000000
Mo H
0.30995753 1.0000000
end
basis "Tc_AQZP" SPHERICAL
Tc S
5343670.67910819 0.0000557
867521.0133861 0.0003722
221199.50301646 0.0016680
73171.34522516 0.0052505
28340.67701962 0.0161930
11815.03306192 0.0409651
5174.02941008 0.1143533
2269.37620448 0.2695662
977.75899808 0.6385975
Tc S
423.28892942 0.5715965
185.49944656 0.4585519
Tc S
33.82974415 0.7335738
16.44389294 0.2853168
Tc S
7.23545406 0.4145638
3.56062747 0.6074095
Tc S
69.15272075 1.0000000
Tc S
1.37861996 1.0000000
Tc S
0.66867481 1.0000000
Tc S
0.30067263 1.0000000
Tc S
0.09297801 1.0000000
Tc S
0.03493287 1.0000000
Tc S
0.00999991 1.0000000
Tc P
22761.79576222 0.0002014
5944.64286819 0.0014161
2180.16321358 0.0063638
939.27277673 0.0219678
442.21709522 0.0662304
210.54479898 0.1822530
99.75453279 0.3788539
47.89463147 0.4744386
Tc P
11.01389232 -0.4741203
5.35147105 -0.5645690
Tc P
1.26985974 0.5711000
0.59101896 0.4720408
Tc P
23.32074025 1.0000000
Tc P
2.5699496 1.0000000
Tc P
0.24904459 1.0000000
Tc P
0.10787569 1.0000000
Tc P
0.03552299 1.0000000
Tc P
0.01249991 1.0000000
Tc D
526.69461231 0.0027932
160.76947732 0.0224367
62.25682204 0.0981478
26.3416594 0.2735344
11.52370291 0.4421480
5.15198832 0.3692073
Tc D
2.27258368 1.0000000
Tc D
0.96125036 1.0000000
Tc D
0.37159913 1.0000000
Tc D
0.12632233 1.0000000
Tc D
0.03909989 1.0000000
Tc F
2.0654432 1.0000000
Tc F
0.77362475 1.0000000
Tc F
0.28525392 1.0000000
Tc F
0.1028521 1.0000000
Tc G
1.4704785 1.0000000
Tc G
0.4987754 1.0000000
Tc G
0.20590535 1.0000000
Tc H
1.0410639 1.0000000
Tc H
0.46095612 1.0000000
end
basis "Ru_AQZP" SPHERICAL
Ru S
5552991.54803948 0.0000578
930754.7330615 0.0003660
242442.19403952 0.0016284
81494.16671625 0.0049032
31776.60355699 0.0157068
13280.84307932 0.0381786
5752.72726417 0.1152014
2503.63673044 0.2593288
1078.13588085 0.6505483
Ru S
464.75335336 0.5469246
201.79695006 0.4841444
Ru S
36.78140732 0.7110060
17.75879525 0.3091677
Ru S
7.57078335 0.4467450
3.6931513 0.5762287
Ru S
75.10230998 1.0000000
Ru S
1.3602404 1.0000000
Ru S
0.61180223 1.0000000
Ru S
0.22138536 1.0000000
Ru S
0.08047495 1.0000000
Ru S
0.03033916 1.0000000
Ru P
25679.49563342 0.0001799
6799.07187118 0.0012305
2511.58737101 0.0055579
1070.88003097 0.0200340
497.64927735 0.0616724
235.73002545 0.1733909
110.93506602 0.3751066
52.82976112 0.4918701
Ru P
11.94980982 -0.4672893
5.77677618 -0.5718165
Ru P
1.36549604 0.5768989
0.63137573 0.4668488
Ru P
25.5600411 1.0000000
Ru P
2.76210552 1.0000000
Ru P
0.2641138 1.0000000
Ru P
0.1254769 1.0000000
Ru P
0.0420803 1.0000000
Ru P
0.01831091 1.0000000
Ru D
662.49900734 0.0019296
203.04763748 0.0163833
77.04340706 0.0808282
31.63595856 0.2538354
13.49684045 0.4490212
5.90600782 0.4004860
Ru D
2.54459782 1.0000000
Ru D
1.06789496 1.0000000
Ru D
0.41137167 1.0000000
Ru D
0.14041837 1.0000000
Ru D
0.03859809 1.0000000
Ru F
2.2031485 1.0000000
Ru F
0.8144435 1.0000000
Ru F
0.2939862 1.0000000
Ru F
0.125216477 1.0000000
Ru G
1.6638372 1.0000000
Ru G
0.5759334 1.0000000
Ru G
0.14977574 1.0000000
Ru H
1.2009679 1.0000000
Ru H
0.538828847 1.0000000
end
basis "Rh_AQZP" SPHERICAL
Rh S
5643039.71728898 0.0000588
946791.23783555 0.0003735
246941.41404617 0.0016463
82987.36984449 0.0050280
32370.20731534 0.0157840
13538.12971113 0.0392063
5867.16427343 0.1152223
2557.80328059 0.2637780
1102.41124187 0.6452858
Rh S
475.92322602 0.5581682
207.40048532 0.4725389
Rh S
37.74586617 0.7357112
18.21686721 0.2834575
Rh S
7.87911569 0.4705328
3.8594262 0.5524164
Rh S
77.40307721 1.0000000
Rh S
1.44336925 1.0000000
Rh S
0.63712018 1.0000000
Rh S
0.20881054 1.0000000
Rh S
0.08062559 1.0000000
Rh S
0.03032287 1.0000000
Rh P
25189.20792567 0.0001989
6598.44519896 0.0013942
2418.8102956 0.0062965
1034.05727487 0.0223293
482.76936362 0.0672833
230.97296596 0.1819290
110.10007853 0.3777783
53.04356296 0.4740186
Rh P
12.25861473 -0.4845069
5.99691092 -0.5536154
Rh P
1.44298003 0.5854112
0.67416519 0.4570382
Rh P
25.88672384 1.0000000
Rh P
2.89053411 1.0000000
Rh P
0.2837988 1.0000000
Rh P
0.13746079 1.0000000
Rh P
0.04957988 1.0000000
Rh P
0.02173686 1.0000000
Rh D
548.02747957 0.0031708
168.97511687 0.0249599
65.4828737 0.1075342
27.78840724 0.2895335
12.17274678 0.4479083
5.43475929 0.3390805
Rh D
2.30865168 1.0000000
Rh D
0.97090852 1.0000000
Rh D
0.38174045 1.0000000
Rh D
0.13544014 1.0000000
Rh D
0.05200394 1.0000000
Rh F
2.5680785 1.0000000
Rh F
0.9990881 1.0000000
Rh F
0.3689620 1.0000000
Rh F
0.12324476 1.0000000
Rh G
1.8685202 1.0000000
Rh G
0.6486500 1.0000000
Rh G
0.26369321 1.0000000
Rh H
1.4004832 1.0000000
Rh H
0.57009734 1.0000000
end
basis "Pd_AQZP" SPHERICAL
Pd S
17997134.02787254 0.0000273
3088261.46922638 0.0001672
872149.75428925 0.0006098
311770.82130834 0.0019969
116876.86093058 0.0064751
47642.38670558 0.0174832
21291.79403552 0.0439103
9767.7280265 0.1117034
4518.69460804 0.2719896
2088.69988971 0.6265808
Pd S
959.92061329 -0.4319401
442.05549627 -0.5944633
Pd S
42.2738696 -0.5912056
20.82783799 -0.4309561
Pd S
204.30063929 1.0000000
Pd S
85.33309073 1.0000000
Pd S
9.19996715 1.0000000
Pd S
4.59955836 1.0000000
Pd S
1.94921729 1.0000000
Pd S
0.9394112 1.0000000
Pd S
0.40137378 1.0000000
Pd S
0.10999991 1.0000000
Pd P
26070.3129745 0.0002012
6821.53857487 0.0014141
2498.88434382 0.0063852
1069.17134315 0.0225674
499.2137432 0.0680981
238.64267771 0.1837162
113.69411731 0.3795405
54.71505176 0.4701089
Pd P
12.62169159 -0.5012475
6.18314428 -0.5368639
Pd P
1.47776484 0.6024296
0.69045101 0.4395901
Pd P
26.64123326 1.0000000
Pd P
2.95722303 1.0000000
Pd P
0.28790819 1.0000000
Pd P
0.0698190 1.0000000
Pd P
0.02099991 1.0000000
Pd D
547.57418537 0.0035152
169.79225963 0.0270930
66.07951991 0.1143656
28.0767873 0.3020541
12.25431275 0.4529898
5.45380628 0.3152559
Pd D
2.27812888 1.0000000
Pd D
0.93370268 1.0000000
Pd D
0.35338639 1.0000000
Pd D
0.11894496 1.0000000
Pd D
0.04999991 1.0000000
Pd F
2.7195773 1.0000000
Pd F
1.0484253 1.0000000
Pd F
0.3681696 1.0000000
Pd F
0.11981999 1.0000000
Pd G
2.0325060 1.0000000
Pd G
0.7042661 1.0000000
Pd G
0.2932000 1.0000000
Pd H
1.5341688 1.0000000
Pd H
0.5812998 1.0000000
end
basis "Ag_AQZP" SPHERICAL
Ag S
9842549.81841184 -0.0000351
1502374.90803674 -0.0002556
360718.71522792 -0.0012597
113516.92766391 -0.0041383
41964.43715579 -0.0139244
17077.17042534 -0.0342589
7224.67103037 -0.1087028
3037.23767569 -0.2575613
1269.28985572 -0.6649481
Ag S
537.35593508 0.5443704
231.16524128 0.4873841
Ag S
41.34409855 0.7376431
20.00797877 0.2812986
Ag S
8.81438654 0.4831395
4.36427179 0.5392235
Ag S
84.50109238 1.0000000
Ag S
1.62320875 1.0000000
Ag S
0.7049248 1.0000000
Ag S
0.21159348 1.0000000
Ag S
0.08198065 1.0000000
Ag S
0.03031733 1.0000000
Ag S
0.0091700 1.0000000
Ag P
26894.58061921 0.0002075
7233.56013934 0.0013869
2690.87320805 0.0061520
1160.66180842 0.0216392
543.56110582 0.0656684
260.32738188 0.1784778
124.48959664 0.3743315
60.18304311 0.4813051
Ag P
13.97229242 -0.4787431
6.87472587 -0.5587327
Ag P
1.65183763 0.5987231
0.7679302 0.4439337
Ag P
29.47524611 1.0000000
Ag P
3.33230255 1.0000000
Ag P
0.32366057 1.0000000
Ag P
0.12398157 1.0000000
Ag P
0.04473257 1.0000000
Ag P
0.01999991 1.0000000
Ag D
627.97927467 0.0029912
193.09624497 0.0240122
74.77735164 0.1050341
31.81802088 0.2865993
14.01162496 0.4491403
6.30957362 0.3402113
Ag D
2.70853231 1.0000000
Ag D
1.14829229 1.0000000
Ag D
0.45589902 1.0000000
Ag D
0.16387095 1.0000000
Ag D
0.00299991 1.0000000
Ag F
3.1602536 1.0000000
Ag F
1.2439035 1.0000000
Ag F
0.4586604 1.0000000
Ag F
0.1637700 1.0000000
Ag G
2.3301673 1.0000000
Ag G
0.8326207 1.0000000
Ag G
0.36939999 1.0000000
Ag H
1.7762555 1.0000000
Ag H
0.7634999 1.0000000
end
basis "Cd_AQZP" SPHERICAL
Cd S
4870072.35520374 0.0000779
884213.43404687 0.0004306
251816.4057371 0.0017235
85818.27320164 0.0055501
33762.00451926 0.0162189
14297.08142042 0.0421564
6215.27645162 0.1166895
2729.26523478 0.2752210
1185.97024254 0.6295043
Cd S
515.18080044 -0.5870606
226.56754867 -0.4426001
Cd S
41.34782674 -0.7910440
19.8823817 -0.2255294
Cd S
8.98321378 -0.5202008
4.4411229 -0.5023186
Cd S
85.50636431 1.0000000
Cd S
1.74703695 1.0000000
Cd S
0.75036966 1.0000000
Cd S
0.13803713 1.0000000
Cd S
0.06686915 1.0000000
Cd S
0.03079219 1.0000000
Cd S
0.0829946 1.0000000
Cd P
27854.36247205 0.0002190
7547.47554011 0.0013970
2924.01245021 0.0057153
1280.96687319 0.0205246
598.14808674 0.0628085
288.20413537 0.1702158
138.66772833 0.3668240
67.20948711 0.4978270
Cd P
15.61173904 -0.4526726
7.71432108 -0.5839738
Cd P
1.90472884 0.5743013
0.89419166 0.4678528
Cd P
32.9809847 1.0000000
Cd P
3.81621263 1.0000000
Cd P
0.37970183 1.0000000
Cd P
0.12118093 1.0000000
Cd P
0.0458843 1.0000000
Cd P
0.01873686 1.0000000
Cd D
887.45175755 0.0016800
263.55213332 0.0155187
98.92097628 0.0786683
40.97669782 0.2481586
17.79916569 0.4462092
7.96929051 0.4038028
Cd D
3.51409872 1.0000000
Cd D
1.53713506 1.0000000
Cd D
0.62718117 1.0000000
Cd D
0.23000817 1.0000000
Cd D
0.030193355 1.0000000
Cd F
3.3682004 1.0000000
Cd F
1.2860008 1.0000000
Cd F
0.4762710 1.0000000
Cd F
0.177622525 1.0000000
Cd G
2.6269138 1.0000000
Cd G
0.9594397 1.0000000
Cd G
0.3946535 1.0000000
Cd H
1.9814840 1.0000000
Cd H
0.90345108 1.0000000
end
basis "In_AQZP" SPHERICAL
In S
6363779.85581275 0.0000621
1033725.38461644 0.0004137
266277.84749951 0.0018141
88737.85593801 0.0057204
34640.0274537 0.0171029
14716.09784381 0.0425083
6491.4644759 0.1181137
2875.16247422 0.2723662
1260.79295973 0.6291973
In S
553.36515541 0.5690645
244.58197091 0.4605191
In S
45.95472163 -0.7215103
22.50730743 -0.2974830
In S
9.83386288 0.4791984
4.89760808 0.5427859
In S
93.31160783 1.0000000
In S
1.92978078 1.0000000
In S
0.85122055 1.0000000
In S
0.19277786 1.0000000
In S
0.09590047 1.0000000
In S
0.04352169 1.0000000
In S
0.01799991 1.0000000
In P
25143.81282831 0.0002427
6368.89414302 0.0018346
2271.40883392 0.0084121
966.95324193 0.0293552
442.59393471 0.0906755
204.94698014 0.2347733
95.49105095 0.4128255
45.12677184 0.3728305
In P
10.03755511 0.8010615
4.95101819 0.2240797
In P
2.35594301 0.5255659
1.08981369 0.5186569
In P
20.69988709 1.0000000
In P
0.48409701 1.0000000
In P
0.16314831 1.0000000
In P
0.0612784 1.0000000
In P
0.02353486 1.0000000
In D
970.64025906 0.0015657
286.10892856 0.0147686
107.18384549 0.0758771
44.53183365 0.2412923
19.48531016 0.4417379
8.78833462 0.4146177
In D
3.91670539 1.0000000
In D
1.73975535 1.0000000
In D
0.72957248 1.0000000
In D
0.26921494 1.0000000
In D
0.03857991 1.0000000
In F
3.5971233 1.0000000
In F
1.3648294 1.0000000
In F
0.5110392 1.0000000
In F
0.17766969 1.0000000
In G
2.8687557 1.0000000
In G
1.0459150 1.0000000
In G
0.3689594 1.0000000
In H
2.2659650 1.0000000
In H
1.00115319 1.0000000
end
basis "Sn_AQZP" SPHERICAL
Sn S
6214561.04195601 -0.0000684
1042616.87292139 -0.0004343
273207.6372098 -0.0018898
92366.29259856 -0.0057497
36320.2993689 -0.0176125
15519.24395975 -0.0418333
6892.76884554 -0.1201755
3066.91409025 -0.2662981
1356.76810858 -0.6326751
Sn S
599.85670459 0.5467772
265.21383328 0.4830121
Sn S
50.76024837 0.6784087
24.81906644 0.3422092
Sn S
10.31910878 0.4765160
5.12658142 0.5456037
Sn S
102.61176669 1.0000000
Sn S
2.18073723 1.0000000
Sn S
0.98815111 1.0000000
Sn S
0.30368465 1.0000000
Sn S
0.15149752 1.0000000
Sn S
0.06361053 1.0000000
Sn S
0.02690006 1.0000000
Sn P
26272.29835062 0.0002428
6787.84104164 0.0017641
2457.14131177 0.0079431
1051.6938230 0.0278002
483.4455444 0.0855526
225.60685274 0.2231914
105.62800132 0.4073737
49.98597717 0.3935930
Sn P
11.16249809 -0.7575462
5.50125855 -0.2712440
Sn P
2.66797742 0.4935817
1.26434082 0.5479203
Sn P
23.1008669 1.0000000
Sn P
0.59145891 1.0000000
Sn P
0.29074533 1.0000000
Sn P
0.12136332 1.0000000
Sn P
0.04751753 1.0000000
Sn P
0.01269991 1.0000000
Sn D
1047.7477620 0.0015127
313.88780705 0.0135966
121.47087193 0.0666480
51.95272666 0.2151199
23.10886649 0.4282453
10.4393598 0.4547301
Sn D
4.70820428 1.0000000
Sn D
2.11150671 1.0000000
Sn D
0.89573825 1.0000000
Sn D
0.14218067 1.0000000
Sn D
0.04439991 1.0000000
Sn F
3.8458875 1.0000000
Sn F
1.4386541 1.0000000
Sn F
0.5191905 1.0000000
Sn F
0.18022573 1.0000000
Sn G
3.0870987 1.0000000
Sn G
1.1119276 1.0000000
Sn G
0.32846958 1.0000000
Sn H
2.5262121 1.0000000
Sn H
1.050946271 1.0000000
end
basis "Sb_AQZP" SPHERICAL
Sb S
10127007.98598542 0.0000524
1627020.64126192 0.0003372
410954.09946219 0.0016691
135270.89950648 0.0045352
52848.58293858 0.0167465
22654.11094468 0.0307939
9949.22211946 0.1215753
4392.50285006 0.2150400
1935.92226982 0.6904760
Sb S
844.86233803 0.3957982
370.82335146 0.5258056
166.01213104 0.1270791
Sb S
12.58376558 -0.3473176
6.2409214 -0.6726724
Sb S
70.82547547 1.0000000
Sb S
32.72789433 1.0000000
Sb S
2.56717306 1.0000000
Sb S
1.24714035 1.0000000
Sb S
0.48806518 1.0000000
Sb S
0.23042861 1.0000000
Sb S
0.08659888 1.0000000
Sb S
0.03499991 1.0000000
Sb P
27907.23603808 0.0002386
7201.03079125 0.0017335
2611.83844042 0.0077821
1119.26879826 0.0272343
516.85774035 0.0829429
243.56354883 0.2153047
114.98961265 0.4016032
54.72219384 0.4076339
Sb P
12.43305989 -0.7143855
6.17384562 -0.3166652
Sb P
2.96569111 0.4670264
1.41416578 0.5734839
Sb P
25.63021038 1.0000000
Sb P
0.66294379 1.0000000
Sb P
0.33073396 1.0000000
Sb P
0.1449680 1.0000000
Sb P
0.05872206 1.0000000
Sb P
0.0150006 1.0000000
Sb D
1137.92374557 0.0014217
341.64000968 0.0127845
132.81918865 0.0629342
57.09126506 0.2063283
25.51683423 0.4229995
11.58225167 0.4685602
Sb D
5.27305301 1.0000000
Sb D
2.38246993 1.0000000
Sb D
1.02491896 1.0000000
Sb D
0.22427111 1.0000000
Sb D
0.06109991 1.0000000
Sb F
4.0673126 1.0000000
Sb F
1.5007223 1.0000000
Sb F
0.5060578 1.0000000
Sb F
0.1868314 1.0000000
Sb G
3.2989987 1.0000000
Sb G
1.1625019 1.0000000
Sb G
0.35000999 1.0000000
Sb H
2.8050167 1.0000000
Sb H
1.10251191 1.0000000
end
basis "Te_AQZP" SPHERICAL
Te S
10945103.32329198 -0.0001269
1849550.94525537 -0.0008412
511047.26306097 -0.0029276
173814.40768515 -0.0117886
64549.85103338 -0.0304092
26139.50704359 -0.1074308
11188.1789608 -0.2212161
4957.44116956 -0.7004639
Te S
2205.81230094 0.3274481
967.22526101 0.6988904
Te S
428.43445412 -0.7258096
195.71668887 -0.2968112
Te S
14.17578256 0.3223199
7.07345902 0.9476182
3.11438698 -0.3117598
Te S
80.68592685 1.0000000
Te S
37.12680085 1.0000000
Te S
1.54498092 1.0000000
Te S
0.72267241 1.0000000
Te S
0.27558954 1.0000000
Te S
0.10390784 1.0000000
Te S
0.03760011 1.0000000
Te P
29084.06552334 0.0002388
7499.84540096 0.0017367
2720.1865190 0.0077931
1166.12772545 0.0272573
539.25621036 0.0826933
254.86104555 0.2140202
120.64341081 0.4006270
57.52140139 0.4094482
Te P
13.13260498 -0.7177763
6.5339973 -0.3128998
Te P
3.13801445 0.4719917
1.50359784 0.5680975
Te P
27.02274269 1.0000000
Te P
0.70297651 1.0000000
Te P
0.35085319 1.0000000
Te P
0.15424056 1.0000000
Te P
0.06218389 1.0000000
Te P
0.0147012 1.0000000
Te D
1227.83930676 0.0013495
369.38039505 0.0121420
144.15939387 0.0599866
62.25430835 0.1989974
27.95222644 0.4181336
12.74556714 0.4802086
Te D
5.85248315 1.0000000
Te D
2.66085662 1.0000000
Te D
1.15851846 1.0000000
Te D
0.24968070 1.0000000
Te D
0.06550041 1.0000000
Te F
4.2066057 1.0000000
Te F
1.5196413 1.0000000
Te F
0.4431844 1.0000000
Te F
0.18951019 1.0000000
Te G
3.4120766 1.0000000
Te G
1.0976502 1.0000000
Te G
0.37363961 1.0000000
Te H
3.0924663 1.0000000
Te H
0.8055999 1.0000000
end
basis "I_AQZP" SPHERICAL
I S
14558870.36750702 -0.0001143
2459075.07453542 -0.0007542
649464.12317667 -0.0030152
212595.52228094 -0.0114690
79579.26400572 -0.0310776
32157.90615966 -0.1033772
13675.55867463 -0.2345391
6066.67486729 -0.6905194
I S
2687.38520073 0.3170484
1173.02899848 0.7090906
I S
93.12739355 0.2923981
43.0742010 0.7293532
I S
19.26096071 -0.0306433
9.57385512 -0.7702298
4.6997524 -0.2178285
I S
518.05165031 1.0000000
I S
234.68149176 1.0000000
I S
2.15922999 1.0000000
I S
1.0240817 1.0000000
I S
0.30881896 1.0000000
I S
0.11887375 1.0000000
I S
0.04339991 1.0000000
I P
46407.33608726 0.0001298
11908.75993508 0.0009552
4275.69960832 0.0045134
1804.59086538 0.0165794
828.00592118 0.0540013
384.02504568 0.1618757
177.07702128 0.3732542
82.82828559 0.5142716
I P
18.33771388 -0.5211480
8.96231469 -0.5172505
I P
4.17282846 0.2919240
2.05522343 0.7383012
I P
39.56191153 1.0000000
I P
1.00115986 1.0000000
I P
0.45367507 1.0000000
I P
0.19245677 1.0000000
I P
0.07569866 1.0000000
I P
0.02299991 1.0000000
I D
1375.40945759 0.0011819
424.69186119 0.0101496
167.70080001 0.0518038
71.93260292 0.1836358
32.10792431 0.4105234
14.63501363 0.5059903
I D
6.78386002 1.0000000
I D
3.0843887 1.0000000
I D
1.34874013 1.0000000
I D
0.35586811 1.0000000
I D
0.08019991 1.0000000
I F
4.56602539 1.0000000
I F
1.662013195 1.0000000
I F
0.4765312 1.0000000
I F
0.2290821 1.0000000
I G
3.36144369 1.0000000
I G
0.8795537 1.0000000
I G
0.39040098 1.0000000
I H
3.3574080 1.0000000
I H
0.73089989 1.0000000
end
basis "Xe_AQZP" SPHERICAL
Xe S
14247295.52329023 -0.0000146
2420920.22071414 -0.0000894
678759.06832028 -0.0003427
230345.21063004 -0.0011976
85830.45624907 -0.0037121
34874.58796112 -0.0104924
14902.7162605 -0.0281134
6593.72587914 -0.0710996
2934.11295426 -0.1720677
1288.10080512 -0.3536629
568.50256561 -0.4716238
Xe S
10.77229104 -0.7521923
5.34740003 -0.2648358
Xe S
255.7053997 1.0000000
Xe S
101.95252868 1.0000000
Xe S
47.43782542 1.0000000
Xe S
21.5450808 1.0000000
Xe S
2.36939865 1.0000000
Xe S
1.12964172 1.0000000
Xe S
0.35114295 1.0000000
Xe S
0.13589991 1.0000000
Xe S
0.05449766 1.0000000
Xe P
42524.53153965 0.0001582
10959.4019002 0.0011384
4030.32353105 0.0050535
1731.14794841 0.0183776
794.01485401 0.0595335
371.84342142 0.1700056
173.95097876 0.3764586
82.15536471 0.4973038
Xe P
18.46267347 -0.5509351
9.09381209 -0.4865157
Xe P
4.27945996 0.3226493
2.10768947 0.7094234
Xe P
39.41840445 1.0000000
Xe P
1.02952463 1.0000000
Xe P
0.49039876 1.0000000
Xe P
0.21111364 1.0000000
Xe P
0.08461187 1.0000000
Xe P
0.02399991 1.0000000
Xe D
1378.38137139 0.0012905
415.31185801 0.0116295
162.67681021 0.0577101
70.60952497 0.1933699
31.88187814 0.4146718
14.6419455 0.4878888
Xe D
6.80211758 1.0000000
Xe D
3.14737392 1.0000000
Xe D
1.40722911 1.0000000
Xe D
0.56970867 1.0000000
Xe D
0.173852993 1.0000000
Xe F
4.93804389 1.0000000
Xe F
1.810012095 1.0000000
Xe F
0.525932697 1.0000000
Xe F
0.18308697 1.0000000
Xe G
3.49118699 1.0000000
Xe G
0.78411339 1.0000000
Xe G
0.39133664 1.0000000
Xe H
3.66715789 1.0000000
Xe H
0.87841188 1.0000000
end
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