!----------------------------------------------------------------------
! Basis Set Exchange
! Version 0.11
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: 6-31G(d,p)
! Description: 6-31G + polarization on all atoms
! Role: orbital
! Version: 0 (Data from the Original Basis Set Exchange)
!----------------------------------------------------------------------
H 0
S 3 1.00
18.7311370 0.03349460
2.8253937 0.23472695
0.6401217 0.81375733
S 1 1.00
0.1612778 1.00000000
P 1 1.00
1.1000000 1.0000000
****
He 0
S 3 1.00
38.4216340 0.0237660
5.7780300 0.1546790
1.2417740 0.4696300
S 1 1.00
0.2979640 1.0000000
P 1 1.00
1.1000000 1.0000000
****
Li 0
S 6 1.00
642.4189200 0.0021426
96.7985150 0.0162089
22.0911210 0.0773156
6.2010703 0.2457860
1.9351177 0.4701890
0.6367358 0.3454708
SP 3 1.00
2.3249184 -0.0350917 0.0089415
0.6324306 -0.1912328 0.1410095
0.0790534 1.0839878 0.9453637
SP 1 1.00
0.0359620 1.0000000 1.0000000
D 1 1.00
0.2000000 1.0000000
****
Be 0
S 6 1.00
1264.5857000 0.0019448
189.9368100 0.0148351
43.1590890 0.0720906
12.0986630 0.2371542
3.8063232 0.4691987
1.2728903 0.3565202
SP 3 1.00
3.1964631 -0.1126487 0.0559802
0.7478133 -0.2295064 0.2615506
0.2199663 1.1869167 0.7939723
SP 1 1.00
0.0823099 1.0000000 1.0000000
D 1 1.00
0.4000000 1.0000000
****
B 0
S 6 1.00
2068.8823000 0.0018663
310.6495700 0.0142515
70.6830330 0.0695516
19.8610800 0.2325729
6.2993048 0.4670787
2.1270270 0.3634314
SP 3 1.00
4.7279710 -0.1303938 0.0745976
1.1903377 -0.1307889 0.3078467
0.3594117 1.1309444 0.7434568
SP 1 1.00
0.1267512 1.0000000 1.0000000
D 1 1.00
0.6000000 1.0000000
****
C 0
S 6 1.00
3047.5249000 0.0018347
457.3695100 0.0140373
103.9486900 0.0688426
29.2101550 0.2321844
9.2866630 0.4679413
3.1639270 0.3623120
SP 3 1.00
7.8682724 -0.1193324 0.0689991
1.8812885 -0.1608542 0.3164240
0.5442493 1.1434564 0.7443083
SP 1 1.00
0.1687144 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
****
N 0
S 6 1.00
4173.5110000 0.0018348
627.4579000 0.0139950
142.9021000 0.0685870
40.2343300 0.2322410
12.8202100 0.4690700
4.3904370 0.3604550
SP 3 1.00
11.6263580 -0.1149610 0.0675800
2.7162800 -0.1691180 0.3239070
0.7722180 1.1458520 0.7408950
SP 1 1.00
0.2120313 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
****
O 0
S 6 1.00
5484.6717000 0.0018311
825.2349500 0.0139501
188.0469600 0.0684451
52.9645000 0.2327143
16.8975700 0.4701930
5.7996353 0.3585209
SP 3 1.00
15.5396160 -0.1107775 0.0708743
3.5999336 -0.1480263 0.3397528
1.0137618 1.1307670 0.7271586
SP 1 1.00
0.2700058 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
****
F 0
S 6 1.00
7001.7130900 0.0018196169
1051.3660900 0.0139160796
239.2856900 0.0684053245
67.3974453 0.233185760
21.5199573 0.471267439
7.40310130 0.356618546
SP 3 1.00
20.8479528 -0.108506975 0.0716287243
4.80830834 -0.146451658 0.3459121030
1.34406986 1.128688580 0.7224699570
SP 1 1.00
0.358151393 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
****
Ne 0
S 6 1.00
8425.8515300 0.0018843481
1268.5194000 0.0143368994
289.6214140 0.0701096233
81.8590040 0.2373732660
26.2515079 0.4730071260
9.09472051 0.3484012410
SP 3 1.00
26.5321310 -0.107118287 0.0719095885
6.10175501 -0.146163821 0.3495133720
1.69627153 1.127773500 0.7199405120
SP 1 1.00
0.44581870 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
****
Na 0
S 6 1.00
9993.2000000 0.0019377
1499.8900000 0.0148070
341.9510000 0.0727060
94.6797000 0.2526290
29.7345000 0.4932420
10.0063000 0.3131690
SP 6 1.00
150.9630000 -0.0035421 0.0050017
35.5878000 -0.0439590 0.0355110
11.1683000 -0.1097521 0.1428250
3.9020100 0.1873980 0.3386200
1.3817700 0.6466990 0.4515790
0.4663820 0.3060580 0.2732710
SP 3 1.00
0.4979660 -0.2485030 -0.0230230
0.0843530 -0.1317040 0.9503590
0.0666350 1.2335200 0.0598580
SP 1 1.00
0.0259544 1.0000000 1.0000000
D 1 1.00
0.1750000 1.0000000
****
Mg 0
S 6 1.00
11722.8000000 0.0019778
1759.9300000 0.0151140
400.8460000 0.0739110
112.8070000 0.2491910
35.9997000 0.4879280
12.1828000 0.3196620
SP 6 1.00
189.1800000 -0.0032372 0.0049281
45.2119000 -0.0410080 0.0349890
14.3563000 -0.1126000 0.1407250
5.1388600 0.1486330 0.3336420
1.9065200 0.6164970 0.4449400
0.7058870 0.3648290 0.2692540
SP 3 1.00
0.9293400 -0.2122900 -0.0224190
0.2690350 -0.1079850 0.1922700
0.1173790 1.1758400 0.8461810
SP 1 1.00
0.0421061 1.0000000 1.0000000
D 1 1.00
0.1750000 1.0000000
****
Al 0
S 6 1.00
13983.1000000 0.00194267
2098.7500000 0.0148599
477.7050000 0.0728494
134.3600000 0.2468300
42.8709000 0.4872580
14.5189000 0.3234960
SP 6 1.00
239.6680000 -0.00292619 0.00460285
57.4419000 -0.0374080 0.0331990
18.2859000 -0.1144870 0.1362820
6.5991400 0.1156350 0.3304760
2.4904900 0.6125950 0.4491460
0.9445400 0.3937990 0.2657040
SP 3 1.00
1.2779000 -0.2276060 -0.0175130
0.3975900 0.00144583 0.2445330
0.1600950 1.0927900 0.8049340
SP 1 1.00
0.0556577 1.0000000 1.0000000
D 1 1.00
0.3250000 1.0000000
****
Si 0
S 6 1.00
16115.9000000 0.00195948
2425.5800000 0.01492880
553.8670000 0.07284780
156.3400000 0.24613000
50.0683000 0.48591400
17.0178000 0.32500200
SP 6 1.00
292.7180000 -0.00278094 0.00443826
69.8731000 -0.03571460 0.03266790
22.3363000 -0.11498500 0.13472100
8.1503900 0.09356340 0.32867800
3.1345800 0.60301700 0.44964000
1.2254300 0.41895900 0.26137200
SP 3 1.00
1.7273800 -0.24463000 -0.01779510
0.5729220 0.00431572 0.25353900
0.2221920 1.09818000 0.80066900
SP 1 1.00
0.0778369 1.00000000 1.00000000
D 1 1.00
0.4500000 1.0000000
****
P 0
S 6 1.00
19413.3000000 0.0018516
2909.4200000 0.0142062
661.3640000 0.0699995
185.7590000 0.2400790
59.1943000 0.4847620
20.0310000 0.3352000
SP 6 1.00
339.4780000 -0.00278217 0.00456462
81.0101000 -0.0360499 0.03369360
25.8780000 -0.1166310 0.13975500
9.4522100 0.0968328 0.33936200
3.6656600 0.6144180 0.45092100
1.4674600 0.4037980 0.23858600
SP 3 1.00
2.1562300 -0.2529230 -0.01776530
0.7489970 0.0328517 0.27405800
0.2831450 1.0812500 0.78542100
SP 1 1.00
0.0998317 1.0000000 1.00000000
D 1 1.00
0.5500000 1.0000000
****
S 0
S 6 1.00
21917.1000000 0.0018690
3301.4900000 0.0142300
754.1460000 0.0696960
212.7110000 0.2384870
67.9896000 0.4833070
23.0515000 0.3380740
SP 6 1.00
423.7350000 -0.0023767 0.0040610
100.7100000 -0.0316930 0.0306810
32.1599000 -0.1133170 0.1304520
11.8079000 0.0560900 0.3272050
4.6311000 0.5922550 0.4528510
1.8702500 0.4550060 0.2560420
SP 3 1.00
2.6158400 -0.2503740 -0.0145110
0.9221670 0.0669570 0.3102630
0.3412870 1.0545100 0.7544830
SP 1 1.00
0.1171670 1.0000000 1.0000000
D 1 1.00
0.6500000 1.0000000
****
Cl 0
S 6 1.00
25180.1000000 0.0018330
3780.3500000 0.0140340
860.4740000 0.0690970
242.1450000 0.2374520
77.3349000 0.4830340
26.2470000 0.3398560
SP 6 1.00
491.7650000 -0.0022974 0.0039894
116.9840000 -0.0307140 0.0303180
37.4153000 -0.1125280 0.1298800
13.7834000 0.0450160 0.3279510
5.4521500 0.5893530 0.4535270
2.2258800 0.4652060 0.2521540
SP 3 1.00
3.1864900 -0.2518300 -0.0142990
1.1442700 0.0615890 0.3235720
0.4203770 1.0601800 0.7435070
SP 1 1.00
0.1426570 1.0000000 1.0000000
D 1 1.00
0.7500000 1.0000000
****
Ar 0
S 6 1.00
28348.3000000 0.00182526
4257.6200000 0.01396860
969.8570000 0.06870730
273.2630000 0.23620400
87.3695000 0.48221400
29.6867000 0.34204300
SP 6 1.00
575.8910000 -0.00215972 0.00380665
136.8160000 -0.02907750 0.02923050
43.8098000 -0.11082700 0.12646700
16.2094000 0.02769990 0.32351000
6.4608400 0.57761300 0.45489600
2.6511400 0.48868800 0.25663000
SP 3 1.00
3.8602800 -0.2555920 -0.01591970
1.4137300 0.0378066 0.32464600
0.5166460 1.0805600 0.74399000
SP 1 1.00
0.1738880 1.0000000 1.0000000
D 1 1.00
0.8500000 1.0000000
****
K 0
S 6 1.00
31594.4200000 1.828010D-03
4744.3300000 1.399403D-02
1080.4190000 6.887129D-02
304.2338000 2.369760D-01
97.2458600 4.829040D-01
33.0249500 3.404795D-01
SP 6 1.00
622.7625000 -2.502976D-03 4.094637D-03
147.8839000 -3.315550D-02 3.145199D-02
47.3273500 -1.226387D-01 1.351558D-01
17.5149500 5.353643D-02 3.390500D-01
6.9227220 6.193860D-01 4.629455D-01
2.7682770 4.345878D-01 2.242638D-01
SP 6 1.00
11.8480200 1.277689D-02 -1.221377D-02
4.0792110 2.098767D-01 -6.900537D-03
1.7634810 -3.095274D-03 2.007466D-01
0.7889270 -5.593884D-01 4.281332D-01
0.3503870 -5.134760D-01 3.970156D-01
0.1463440 -6.598035D-02 1.104718D-01
SP 3 1.00
0.7168010 -5.237772D-02 0.0316430
0.2337410 -2.798503D-01 -0.0404616
0.0386750 1.141547D+00 1.0120290
SP 1 1.00
0.0165210 1.000000D+00 1.00000000
D 1 1.00
0.2000000 1.000000D+00
****
Ca 0
S 6 1.00
35264.8600000 1.813501D-03
5295.5030000 1.388493D-02
1206.0200000 6.836162D-02
339.6839000 2.356188D-01
108.6264000 4.820639D-01
36.9210300 3.429819D-01
SP 6 1.00
706.3096000 2.448225D-03 4.020371D-03
167.8187000 3.241504D-02 3.100601D-02
53.8255800 1.226219D-01 1.337279D-01
20.0163800 -4.316965D-02 3.367983D-01
7.9702790 -6.126995D-01 4.631281D-01
3.2120590 -4.487540D-01 2.257532D-01
SP 6 1.00
14.1951800 1.084500D-02 -1.289621D-02
4.8808280 2.088333D-01 -1.025198D-02
2.1603900 3.150338D-02 1.959781D-01
0.9878990 -5.526518D-01 4.357933D-01
0.4495170 -5.437997D-01 3.996452D-01
0.1873870 -6.669342D-02 9.713636D-02
SP 3 1.00
1.0322710 -4.439720D-02 -0.4298621
0.3811710 -3.284563D-01 0.006935829
0.0651310 1.163010D+00 0.9705933
SP 1 1.00
0.0260100 1.000000D+00 1.00000000
D 1 1.00
0.2000000 1.000000D+00
****
Sc 0
S 6 1.00
39088.9800000 1.803263D-03
5869.7920000 1.380769D-02
1336.9100000 6.800396D-02
376.6031000 2.347099D-01
120.4679000 4.815690D-01
40.9803200 3.445652D-01
SP 6 1.00
786.2852000 2.451863D-03 4.039530D-03
186.8870000 3.259579D-02 3.122570D-02
60.0093500 1.238242D-01 1.349833D-01
22.2588300 -4.359890D-02 3.424793D-01
8.8851490 -6.177181D-01 4.623113D-01
3.6092110 -4.432823D-01 2.177524D-01
SP 6 1.00
29.8435500 -2.586302D-03 -6.096652D-03
9.5423830 7.188424D-02 -2.628884D-02
4.0567900 2.503260D-01 5.091001D-02
1.7047030 -2.991003D-01 3.798097D-01
0.7062340 -7.446818D-01 5.170883D-01
0.2795360 -1.799776D-01 1.829772D-01
SP 3 1.00
1.0656090 6.482978D-02 -0.2938440
0.4259330 3.253756D-01 0.09235323
0.0763200 -1.170806D+00 0.9847930
SP 1 1.00
0.0295940 1.000000D+00 1.00000000
D 3 1.00
11.1470100 8.747672D-02
2.8210430 3.795635D-01
0.8196200 7.180393D-01
D 1 1.00
0.2214680 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
Ti 0
S 6 1.00
43152.9500000 1.791872D-03
6479.5710000 1.372392D-02
1475.6750000 6.762830D-02
415.6991000 2.337642D-01
133.0006000 4.810696D-01
45.2722200 3.462280D-01
SP 6 1.00
874.6826000 2.431008D-03 4.017679D-03
207.9785000 3.233027D-02 3.113966D-02
66.8791800 1.242520D-01 1.349077D-01
24.8734700 -3.903905D-02 3.431672D-01
9.9684410 -6.171789D-01 4.625760D-01
4.0638260 -4.473097D-01 2.154603D-01
SP 6 1.00
33.6436300 -2.940358D-03 -6.311620D-03
10.8756500 7.163103D-02 -2.697638D-02
4.6282250 2.528915D-01 5.316847D-02
1.9501260 -2.966401D-01 3.845549D-01
0.8094520 -7.432215D-01 5.127662D-01
0.3204740 -1.853520D-01 1.811135D-01
SP 3 1.00
1.2241480 6.351465D-02 -0.2112070
0.4842630 3.151404D-01 0.07771998
0.0840960 -1.162595D+00 0.9898214
SP 1 1.00
0.0320360 1.000000D+00 1.00000000
D 3 1.00
13.6908500 8.589418D-02
3.5131540 3.784671D-01
1.0404340 7.161239D-01
D 1 1.00
0.2869620 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
V 0
S 6 1.00
47354.3300000 1.784513D-03
7110.7870000 1.366754D-02
1619.5910000 6.736122D-02
456.3379000 2.330552D-01
146.0606000 4.806316D-01
49.7579100 3.474802D-01
SP 6 1.00
968.1484000 2.410599D-03 3.995005D-03
230.2821000 3.207243D-02 3.104061D-02
74.1459100 1.245942D-01 1.347747D-01
27.6410700 -3.482177D-02 3.437279D-01
11.1147500 -6.167374D-01 4.628759D-01
4.5431130 -4.509844D-01 2.135547D-01
SP 6 1.00
37.6405000 -3.233199D-03 -6.494056D-03
12.2823800 7.130744D-02 -2.753453D-02
5.2333660 2.543820D-01 5.516284D-02
2.2089500 -2.933887D-01 3.879672D-01
0.9178800 -7.415695D-01 5.090258D-01
0.3634120 -1.909410D-01 1.803840D-01
SP 3 1.00
1.3927810 6.139703D-02 -0.1891265
0.5439130 3.061130D-01 0.08005453
0.0914760 -1.154890D+00 0.9877399
SP 1 1.00
0.0343120 1.000000D+00 1.00000000
D 3 1.00
16.0502500 8.599899D-02
4.1600630 3.802996D-01
1.2432650 7.127659D-01
D 1 1.00
0.3442770 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
Cr 0
S 6 1.00
51789.8100000 1.776182D-03
7776.8490000 1.360476D-02
1771.3850000 6.706925D-02
499.1588000 2.323104D-01
159.7982000 4.802410D-01
54.4702100 3.487653D-01
SP 6 1.00
1064.3280000 2.399669D-03 3.986997D-03
253.2138000 3.194886D-02 3.104662D-02
81.6092400 1.250868D-01 1.350518D-01
30.4819300 -3.221866D-02 3.448865D-01
12.2943900 -6.172284D-01 4.628571D-01
5.0377220 -4.525936D-01 2.110426D-01
SP 6 1.00
41.5629100 -3.454216D-03 -6.722497D-03
13.6762700 7.218428D-02 -2.806471D-02
5.8443900 2.544820D-01 5.820028D-02
2.4716090 -2.934534D-01 3.916988D-01
1.0283080 -7.385455D-01 5.047823D-01
0.4072500 -1.947157D-01 1.790290D-01
SP 3 1.00
1.5714640 0.05892219 -0.1930100
0.6055800 0.2976055 0.0960562
0.0985610 -1.1475060 0.9817609
SP 1 1.00
0.0364590 1.000000D+00 1.0000000
D 3 1.00
18.4193000 8.650816D-02
4.8126610 3.826699D-01
1.4464470 7.093772D-01
D 1 1.00
0.4004130 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
Mn 0
S 6 1.00
56347.1400000 1.771580D-03
8460.9430000 1.357081D-02
1927.3250000 6.690605D-02
543.2343000 2.318541D-01
173.9905000 4.799046D-01
59.3600500 3.495737D-01
SP 6 1.00
1165.4120000 2.388751D-03 3.977318D-03
277.3276000 3.181708D-02 3.103112D-02
89.4727800 1.254670D-01 1.351894D-01
33.4825600 -2.955431D-02 3.457387D-01
13.5403700 -6.175160D-01 4.629205D-01
5.5579720 -4.544458D-01 2.090592D-01
SP 6 1.00
45.8353200 -3.665856D-03 -6.887578D-03
15.1877700 7.231971D-02 -2.846816D-02
6.5007100 2.544486D-01 6.031832D-02
2.7515830 -2.910380D-01 3.938961D-01
1.1454040 -7.359860D-01 5.013769D-01
0.4536870 -1.997617D-01 1.792264D-01
SP 3 1.00
1.7579990 0.05628572 -0.5035024
0.6670220 0.2897491 0.2345011
0.1051290 -1.1406530 0.9141257
SP 1 1.00
0.0384180 1.000000D+00 1.00000000
D 3 1.00
20.9435500 8.672702D-02
5.5104860 3.841883D-01
1.6650380 7.069071D-01
D 1 1.00
0.4617330 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
Fe 0
S 6 1.00
61132.6200000 1.766111D-03
9179.3420000 1.353038D-02
2090.8570000 6.673128D-02
589.2479000 2.314823D-01
188.7543000 4.797058D-01
64.4462900 3.501976D-01
SP 6 1.00
1259.9800000 2.438014D-03 4.028019D-03
299.8761000 3.224048D-02 3.144647D-02
96.8491700 1.265724D-01 1.368317D-01
36.3102000 -3.139902D-02 3.487236D-01
14.7299600 -6.207593D-01 4.617931D-01
6.0660750 -4.502914D-01 2.043058D-01
SP 6 1.00
50.4348500 -3.873256D-03 -7.017128D-03
16.8392900 7.196598D-02 -2.877660D-02
7.1920860 2.556591D-01 6.181383D-02
3.0534200 -2.882837D-01 3.954946D-01
1.2736430 -7.342822D-01 4.989059D-01
0.5040910 -2.049353D-01 1.791251D-01
SP 3 1.00
1.9503160 0.05694869 -0.4593796
0.7367210 0.2882915 0.2852139
0.1141770 -1.1381590 0.9076485
SP 1 1.00
0.0411480 1.000000D+00 1.00000000
D 3 1.00
23.1499400 8.876935D-02
6.1223680 3.896319D-01
1.8466010 7.014816D-01
D 1 1.00
0.5043610 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
Co 0
S 6 1.00
66148.9900000 1.759787D-03
9933.0770000 1.348162D-02
2262.8160000 6.649342D-02
637.9154000 2.307939D-01
204.4122000 4.792919D-01
69.8253800 3.514097D-01
SP 6 1.00
1378.8410000 2.376276D-03 3.971488D-03
328.2694000 3.167450D-02 3.108174D-02
106.0946000 1.262888D-01 1.357439D-01
39.8327500 -2.584552D-02 3.476827D-01
16.1862200 -6.183491D-01 4.626340D-01
6.6677880 -4.567008D-01 2.051632D-01
SP 6 1.00
54.5235500 -3.993004D-03 -7.290772D-03
18.2978300 7.409663D-02 -2.926027D-02
7.8673480 2.542000D-01 6.564150D-02
3.3405340 -2.921657D-01 4.000652D-01
1.3937560 -7.318703D-01 4.950236D-01
0.5513260 -2.040784D-01 1.758240D-01
SP 3 1.00
2.1519470 0.05379843 -0.2165496
0.8110630 0.2759971 0.1240488
0.1210170 -1.1296920 0.9724064
SP 1 1.00
0.0430370 1.000000D+00 1.00000000
D 3 1.00
25.5930600 9.004748D-02
6.8009900 3.931703D-01
2.0516470 6.976844D-01
D 1 1.00
0.5556710 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
Ni 0
S 6 1.00
71396.3500000 1.753003D-03
10720.8400000 1.343122D-02
2442.1290000 6.627041D-02
688.4265000 2.302508D-01
220.6153000 4.790186D-01
75.3937300 3.523444D-01
SP 6 1.00
1492.5320000 2.370714D-03 3.967554D-03
355.4013000 3.160566D-02 3.109479D-02
114.9534000 1.266335D-01 1.359517D-01
43.2204300 -2.417037D-02 3.485136D-01
17.5971000 -6.187775D-01 4.625498D-01
7.2577650 -4.576770D-01 2.035186D-01
SP 6 1.00
59.3526100 -4.162002D-03 -7.421452D-03
20.0218100 7.425111D-02 -2.953410D-02
8.6145610 2.541360D-01 6.731852D-02
3.6605310 -2.903477D-01 4.016660D-01
1.5281110 -7.302121D-01 4.926623D-01
0.6040570 -2.076057D-01 1.756893D-01
SP 3 1.00
2.3792760 0.05157888 -0.1887663
0.8858390 0.2707611 0.1015199
0.1285290 -1.1247700 0.9790906
SP 1 1.00
0.0451950 1.000000D+00 1.00000000
D 3 1.00
28.1914700 9.098881D-02
7.5235840 3.958208D-01
2.2712280 6.947154D-01
D 1 1.00
0.6116030 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
Cu 0
S 6 1.00
76794.3800000 1.748161D-03
11530.7000000 1.339602D-02
2626.5750000 6.610885D-02
740.4903000 2.298265D-01
237.3528000 4.787675D-01
81.1581800 3.530739D-01
SP 6 1.00
1610.8140000 2.364055D-03 3.963307D-03
383.6367000 3.153635D-02 3.110223D-02
124.1733000 1.269452D-01 1.361350D-01
46.7467800 -2.262840D-02 3.492914D-01
19.0656900 -6.192080D-01 4.624780D-01
7.8715670 -4.585393D-01 2.020102D-01
SP 6 1.00
64.4573200 -4.331075D-03 -7.523725D-03
21.8521200 7.412307D-02 -2.975687D-02
9.4053430 2.542108D-01 6.849654D-02
3.9991680 -2.874843D-01 4.027141D-01
1.6702970 -7.291436D-01 4.908490D-01
0.6596270 -2.113951D-01 1.759268D-01
SP 3 1.00
2.6000880 0.05027577 -0.1702911
0.9630940 0.2650040 0.09310133
0.1361610 -1.1201550 0.9814336
SP 1 1.00
0.0473320 1.000000D+00 1.00000000
D 3 1.00
30.8534100 9.199905D-02
8.2649850 3.985021D-01
2.4953320 6.917897D-01
D 1 1.00
0.6676580 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****
Zn 0
S 6 1.00
82400.9400000 1.743329D-03
12372.5500000 1.335966D-02
2818.3510000 6.594365D-02
794.5717000 2.294151D-01
254.7232000 4.785453D-01
87.1388000 3.537753D-01
SP 6 1.00
1732.5690000 2.361459D-03 3.963125D-03
412.7149000 3.150177D-02 3.113411D-02
133.6780000 1.272774D-01 1.363931D-01
50.3858500 -2.145928D-02 3.501266D-01
20.5835800 -6.197652D-01 4.623179D-01
8.5059400 -4.590180D-01 2.004995D-01
SP 6 1.00
69.3649200 -4.440098D-03 -7.689262D-03
23.6208200 7.505253D-02 -2.997982D-02
10.1847100 2.533111D-01 7.082411D-02
4.3340820 -2.881897D-01 4.046141D-01
1.8109180 -7.267052D-01 4.882325D-01
0.7148410 -2.133439D-01 1.751970D-01
SP 3 1.00
2.8238420 0.04898543 -0.1586763
1.0395430 0.2592793 0.08379327
0.1432640 -1.1157110 0.9840547
SP 1 1.00
0.0492960 1.000000D+00 1.00000000
D 3 1.00
33.7076400 9.262648D-02
9.0611060 4.002980D-01
2.7383830 6.896608D-01
D 1 1.00
0.7302940 1.000000D+00
F 1 1.00
0.8000000 1.000000D+00
****