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@dgasmith @loriab @andysim
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!
! Def2-TZVP EMSL Basis Set Exchange Library 3/17/14 10:21 AM
! Elements References
! -------- ----------
! H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr :F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys., Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence
! quality for H to Rn: Design and assessment of accuracy 7, 3297 (2005).
!
****
H 0
S 3 1.00
34.0613410 0.60251978E-02
5.1235746 0.45021094E-01
1.1646626 0.20189726
S 1 1.00
0.32723041 1.0000000
S 1 1.00
0.10307241 1.0000000
P 1 1.00
0.8000000 1.0000000
****
He 0
S 3 1.00
98.078321616 0.75803064967E-02
14.764404247 0.54848620937E-01
3.3185831473 0.22074382186
S 1 1.00
0.87413869551 1.0000000
S 1 1.00
0.24459897208 1.0000000
P 1 1.00
1.0000000 1.0000000
****
Li 0
S 6 1.00
6269.2628010 0.20540968826E-03
940.31612431 0.15916554089E-02
214.22107528 0.82869829707E-02
60.759840184 0.33856374249E-01
19.915152032 0.11103225876
7.3171509797 0.27449383329
S 2 1.00
2.9724674216 0.23792456411
1.2639852314 0.30765411924
S 1 1.00
0.51427489953 1.0000000
S 1 1.00
0.77030885901E-01 1.0000000
S 1 1.00
0.28938896433E-01 1.0000000
P 1 1.00
0.4000000 1.0000000
P 1 1.00
0.0600000 1.0000000
P 1 1.00
3.3270000 1.0000000
****
Be 0
S 6 1.00
4700.2365626 0.23584389316E-03
704.82845622 0.18243791019E-02
160.43110478 0.93966148224E-02
45.425347336 0.36908924159E-01
14.798334125 0.10897561281
5.3512452537 0.21694284551
S 2 1.00
2.1542044819 0.44695408857
0.93363744400 0.20866985771
S 1 1.00
0.18791432989 1.0000000
S 1 1.00
0.74648267947E-01 1.0000000
S 1 1.00
0.32650484598E-01 1.0000000
P 2 1.00
0.71695694366 -0.16877854032
0.19541932860 -0.51403419628
P 1 1.00
3.6316917145 1.0000000
P 1 1.00
0.60515465890E-01 1.0000000
D 1 1.00
0.1800000 1.0000000
****
B 0
S 6 1.00
8564.8660687 0.22837198155E-03
1284.1516263 0.17682576447E-02
292.27871604 0.91407080516E-02
82.775469176 0.36342638989E-01
27.017939269 0.11063458441
9.8149619660 0.23367344321
S 2 1.00
3.9318559059 0.41818777978
1.6595599712 0.22325473798
S 1 1.00
0.35762965239 1.0000000
S 1 1.00
0.14246277496 1.0000000
S 1 1.00
0.60560594768E-01 1.0000000
P 4 1.00
22.453875803 0.50265575179E-02
5.1045058330 0.32801738965E-01
1.4986081344 0.13151230768
0.50927831315 0.33197167769
P 1 1.00
0.18147077798 1.0000000
P 1 1.00
0.64621893904E-01 1.0000000
D 1 1.00
0.66100000 1.0000000
D 1 1.00
0.19900000 1.0000000
F 1 1.00
0.49000000 1.0000000
****
C 0
S 6 1.00
13575.3496820 0.22245814352E-03
2035.2333680 0.17232738252E-02
463.22562359 0.89255715314E-02
131.20019598 0.35727984502E-01
42.853015891 0.11076259931
15.584185766 0.24295627626
S 2 1.00
6.2067138508 0.41440263448
2.5764896527 0.23744968655
S 1 1.00
0.57696339419 1.0000000
S 1 1.00
0.22972831358 1.0000000
S 1 1.00
0.95164440028E-01 1.0000000
P 4 1.00
34.697232244 0.53333657805E-02
7.9582622826 0.35864109092E-01
2.3780826883 0.14215873329
0.81433208183 0.34270471845
P 1 1.00
0.28887547253 1.0000000
P 1 1.00
0.10056823671 1.0000000
D 1 1.00
1.09700000 1.0000000
D 1 1.00
0.31800000 1.0000000
F 1 1.00
0.76100000 1.0000000
****
N 0
S 6 1.00
19730.8006470 0.21887984991E-03
2957.8958745 0.16960708803E-02
673.22133595 0.87954603538E-02
190.68249494 0.35359382605E-01
62.295441898 0.11095789217
22.654161182 0.24982972552
S 2 1.00
8.9791477428 0.40623896148
3.6863002370 0.24338217176
S 1 1.00
0.84660076805 1.0000000
S 1 1.00
0.33647133771 1.0000000
S 1 1.00
0.13647653675 1.0000000
P 4 1.00
49.200380510 0.55552416751E-02
11.346790537 0.38052379723E-01
3.4273972411 0.14953671029
1.1785525134 0.34949305230
P 1 1.00
0.41642204972 1.0000000
P 1 1.00
0.14260826011 1.0000000
D 1 1.00
1.65400000 1.0000000
D 1 1.00
0.46900000 1.0000000
F 1 1.00
1.09300000 1.0000000
****
O 0
S 6 1.00
27032.3826310 0.21726302465E-03
4052.3871392 0.16838662199E-02
922.32722710 0.87395616265E-02
261.24070989 0.35239968808E-01
85.354641351 0.11153519115
31.035035245 0.25588953961
S 2 1.00
12.260860728 0.39768730901
4.9987076005 0.24627849430
S 1 1.00
1.1703108158 1.0000000
S 1 1.00
0.46474740994 1.0000000
S 1 1.00
0.18504536357 1.0000000
P 4 1.00
63.274954801 0.60685103418E-02
14.627049379 0.41912575824E-01
4.4501223456 0.16153841088
1.5275799647 0.35706951311
P 1 1.00
0.52935117943 1.0000000
P 1 1.00
0.17478421270 1.0000000
D 1 1.00
2.31400000 1.0000000
D 1 1.00
0.64500000 1.0000000
F 1 1.00
1.42800000 1.0000000
****
F 0
S 6 1.00
35479.1004410 0.21545014888E-03
5318.4728983 0.16700686527E-02
1210.4810975 0.86733211476E-02
342.85518140 0.35049933175E-01
112.01943181 0.11165320133
40.714740248 0.25988506647
S 2 1.00
16.039678111 0.39422966880
6.5038186740 0.24998238551
S 1 1.00
1.5440477509 1.0000000
S 1 1.00
0.61223452862 1.0000000
S 1 1.00
0.24027979698 1.0000000
P 4 1.00
80.233900483 0.63685999134E-02
18.594010743 0.44303143530E-01
5.6867902653 0.16867248708
1.9511006294 0.36166346255
P 1 1.00
0.66970211298 1.0000000
P 1 1.00
0.21651300410 1.0000000
D 1 1.00
3.10700000 1.0000000
D 1 1.00
0.85500000 1.0000000
F 1 1.00
1.91700000 1.0000000
****
Ne 0
S 6 1.00
45069.4640220 0.21687155182E-03
6755.9768656 0.16812736757E-02
1537.6502864 0.87356062782E-02
435.51697667 0.35361266922E-01
142.28655638 0.11321521454
51.692153804 0.26654653104
S 2 1.00
20.315870490 0.39631959951
8.2021942646 0.25582811251
S 1 1.00
1.9681276278 1.0000000
S 1 1.00
0.77904756001 1.0000000
S 1 1.00
0.30229502043 1.0000000
P 4 1.00
99.782996032 0.65569234163E-02
23.176124101 0.45888009138E-01
7.1163945872 0.17331287812
2.4418711435 0.36475267512
P 1 1.00
0.83389605766 1.0000000
P 1 1.00
0.26607311301 1.0000000
D 1 1.00
4.01400000 1.0000000
D 1 1.00
1.09600000 1.0000000
F 1 1.00
2.54400000 1.0000000
****
Na 0
S 7 1.00
26041.1099270 0.61806342811E-03
3906.1268548 0.47748604414E-02
888.97454993 0.24471684829E-01
251.45497961 0.94755394977E-01
81.650143512 0.26867496920
28.904158401 0.47925475440
10.625782932 0.33248591469
S 3 1.00
53.769410179 0.19527731872E-01
16.308243025 0.92648010794E-01
2.3730384125 -0.39938670172
S 2 1.00
0.95730772603 1.6428595391
0.40806460959 0.55692596966
S 1 1.00
0.49967582329E-01 1.0000000
S 1 1.00
0.19268616250E-01 1.0000000
P 5 1.00
138.07979989 0.57951891929E-02
32.232700393 0.41620846251E-01
9.9816075360 0.16281916885
3.4822033928 0.36011784647
1.2299134620 0.44858979889
P 1 1.00
0.41743959423 1.0000000
P 1 1.00
0.0300000 1.0000000
P 1 1.00
0.0910000 1.0000000
D 1 1.00
2.6090000 1.0000000
D 1 1.00
0.4300000 1.0000000
D 1 1.00
0.1000000 1.0000000
****
Mg 0
S 7 1.00
31438.3495550 0.60912311326E-03
4715.5153354 0.47066196465E-02
1073.1629247 0.24135820657E-01
303.57238768 0.93628959834E-01
98.626251042 0.26646742093
34.943808417 0.47890929917
12.859785199 0.33698490286
S 3 1.00
64.876913004 0.19180889307E-01
19.725520777 0.90913704392E-01
2.8951804339 -0.39563756125
S 2 1.00
1.1960454710 1.6827603373
0.54329451156 0.52141091954
S 1 1.00
0.10099104092 1.0000000
S 1 1.00
0.36865728085E-01 1.0000000
P 5 1.00
179.87189612 0.53799549018E-02
42.120069376 0.39318014098E-01
13.120503032 0.15740129476
4.6257503609 0.35919094128
1.6695211016 0.45533379310
P 1 1.00
0.58551012105 1.0000000
P 1 1.00
0.18914796195 1.0000000
P 1 1.00
0.53768755187E-01 1.0000000
D 1 1.00
3.4440000 1.0000000
D 1 1.00
0.2900000 1.0000000
D 1 1.00
0.0700000 1.0000000
****
Al 0
S 7 1.00
37792.5507720 0.57047888709E-03
5668.0682165 0.44093016538E-02
1289.8582841 0.22630967411E-01
364.86596028 0.88025644295E-01
118.57631515 0.25223701612
42.024867605 0.45960547169
15.499501629 0.33277886014
S 3 1.00
75.208026598 0.19250560190E-01
23.031408972 0.87906743952E-01
3.6348797649 -0.34246704535
S 2 1.00
1.6065049957 1.5106266058
0.76103394581 0.58071016470
S 1 1.00
0.16556708849 1.0000000
S 1 1.00
0.60041577113E-01 1.0000000
P 5 1.00
452.52303192 0.23110812466E-02
107.08195049 0.18568641823E-01
34.131021255 0.87216237035E-01
12.587037428 0.26902101523
4.9811919704 0.52128324272
P 1 1.00
2.0070350900 1.0000000
P 1 1.00
0.80083714374 1.0000000
P 1 1.00
0.20178927472 1.0000000
P 1 1.00
0.57895550392E-01 1.0000000
D 2 1.00
1.57000000 0.20000000
0.333000000 1.00000000
D 1 1.00
0.111000000 1.0000000
F 1 1.00
0.244000000 1.0000000
****
Si 0
S 7 1.00
44773.3580780 0.55914765868E-03
6717.1992104 0.43206040189E-02
1528.8960325 0.22187096460E-01
432.54746585 0.86489249116E-01
140.61505226 0.24939889716
49.857636724 0.46017197366
18.434974885 0.34250236575
S 3 1.00
86.533886111 0.21300063007E-01
26.624606846 0.94676139318E-01
4.4953057159 -0.32616264859
S 2 1.00
2.1035045710 1.3980803850
1.0106094922 0.63865786699
S 1 1.00
0.23701751489 1.0000000
S 1 1.00
0.85703405362E-01 1.0000000
P 5 1.00
394.47503628 0.26285693959E-02
93.137683104 0.20556257749E-01
29.519608742 0.92070262801E-01
10.781663791 0.25565889739
4.1626574778 0.42111707185
P 1 1.00
1.6247972989 1.0000000
P 1 1.00
0.54306660493 1.0000000
P 1 1.00
0.20582073956 1.0000000
P 1 1.00
0.70053487306E-01 1.0000000
D 2 1.00
2.30300000 0.20000000
0.476000000 1.00000000
D 1 1.00
0.160000000 1.0000000
F 1 1.00
0.336000000 1.0000000
****
P 0
S 7 1.00
52426.9992330 0.55207164100E-03
7863.2660552 0.42678595308E-02
1789.5227333 0.21931529186E-01
506.27300165 0.85667168373E-01
164.60698546 0.24840686605
58.391918722 0.46336753971
21.643663201 0.35350558156
S 3 1.00
99.013837620 0.21895679958E-01
30.550439817 0.95650470295E-01
5.4537087661 -0.29454270186
S 2 1.00
2.6503362563 1.3294381200
1.2726688867 0.66109396473
S 1 1.00
0.31645005203 1.0000000
S 1 1.00
0.11417466938 1.0000000
P 5 1.00
472.27219248 0.25710623052E-02
111.58882756 0.20250297999E-01
35.445936418 0.91580716787E-01
12.990776875 0.25749454014
5.0486221658 0.42862899758
P 1 1.00
1.9934049566 1.0000000
P 1 1.00
0.66527284430 1.0000000
P 1 1.00
0.25516832128 1.0000000
P 1 1.00
0.90357762251E-01 1.0000000
D 2 1.00
3.12000000 0.20000000
0.648000000 1.00000000
D 1 1.00
0.218000000 1.0000000
F 1 1.00
0.452000000 1.0000000
****
S 0
S 7 1.00
60700.9281040 0.54695944225E-03
9102.6106854 0.42297224557E-02
2071.4166009 0.21747824159E-01
586.02476821 0.85100053589E-01
190.55395021 0.24799128459
67.630384260 0.46703640406
25.127306905 0.36434587550
S 3 1.00
112.57463010 0.21670040240E-01
34.795554217 0.93602301760E-01
6.5115556215 -0.26068001422
S 2 1.00
3.2399032261 1.2842089435
1.5477160881 0.66036416584
S 1 1.00
0.40541030112 1.0000000
S 1 1.00
0.14550651059 1.0000000
P 5 1.00
564.36716027 0.24796796317E-02
133.42624379 0.19677930250E-01
42.468271189 0.89980008258E-01
15.616527580 0.25705880575
6.1093988469 0.43515167292
P 1 1.00
2.4404160198 1.0000000
P 1 1.00
0.83882201296 1.0000000
P 1 1.00
0.31288746900 1.0000000
P 1 1.00
0.10770109004 1.0000000
D 2 1.00
3.75600000 0.20000000
0.812000000 1.00000000
D 1 1.00
0.273000000 1.0000000
F 1 1.00
0.557000000 1.0000000
****
Cl 0
S 7 1.00
69507.9909450 0.54314897497E-03
10426.1568800 0.41990463961E-02
2373.2334061 0.21592141679E-01
671.56420071 0.84598850094E-01
218.41999790 0.24757249724
77.572249714 0.47016930228
28.888815277 0.37436370716
S 3 1.00
127.10527185 0.25182166603E-01
39.339582961 0.10786112456
7.6740679989 -0.27408821574
S 2 1.00
3.8745627630 1.3213875014
1.8385832573 0.68636955368
S 1 1.00
0.50229057542 1.0000000
S 1 1.00
0.17962723420 1.0000000
P 5 1.00
666.50423284 0.23632663836E-02
157.64241690 0.18879300374E-01
50.262520978 0.87206341273E-01
18.536078105 0.25285612970
7.2940532777 0.43507154820
P 1 1.00
2.9433248995 1.0000000
P 1 1.00
1.0404970818 1.0000000
P 1 1.00
0.38456415080 1.0000000
P 1 1.00
0.13069642732 1.0000000
D 2 1.00
4.61000000 0.20000000
1.01100000 1.00000000
D 1 1.00
0.339000000 1.0000000
F 1 1.00
0.706000000 1.0000000
****
Ar 0
S 7 1.00
79111.4229980 0.51029325002E-03
11864.7460090 0.39463036981E-02
2700.1642973 0.20307073910E-01
763.95943485 0.79691825214E-01
248.45150561 0.23420623836
88.283581000 0.44833849481
32.948607069 0.36408167400
S 3 1.00
142.55358000 0.26387407001E-01
44.163688009 0.11226433999
8.9524995000 -0.26178922001
S 2 1.00
4.5546920941 1.3002484998
2.1444079001 0.67197237009
S 1 1.00
0.60708777004 1.0000000
S 1 1.00
0.21651431999 1.0000000
P 5 1.00
776.77541998 0.22028005003E-02
183.80107018 0.17694180008E-01
58.694003175 0.82431293717E-01
21.701591695 0.24207278863
8.5821489635 0.42263558251
P 1 1.00
3.4922679161 1.0000000
P 1 1.00
1.2637426998 1.0000000
P 1 1.00
0.46607870005 1.0000000
P 1 1.00
0.15766003000 1.0000000
D 2 1.00
5.55100000 0.20000000
1.23500000 1.00000000
D 1 1.00
0.412000000 1.0000000
F 1 1.00
0.890000000 1.0000000
****
K 0
S 8 1.00
153976.1832500 0.23662636107E-03
23082.4976720 0.18342929137E-02
5253.2344745 0.95310527769E-02
1486.9550133 0.38638406980E-01
484.06333726 0.12480768502
173.56653980 0.29278861009
67.116381464 0.40633425860
26.339502054 0.20077215860
S 4 1.00
172.87693567 -0.24200960936E-01
53.058649063 -0.11553095040
7.9212753964 0.57455545175
3.2108880472 0.57023185107
S 2 1.00
4.5662070895 -0.22615763466
0.70209907282 0.75528392045
S 1 1.00
0.28258942635 1.0000000
S 1 1.00
0.35805824617E-01 1.0000000
S 1 1.00
0.15819213245E-01 1.0000000
P 6 1.00
728.18449873 0.26150689792E-02
172.13265061 0.20673630835E-01
54.829847075 0.93205603870E-01
20.166266494 0.25436518210
7.8610728806 0.39131132810
3.1105213132 0.22481345943
P 3 1.00
11.757337492 -0.25777289217E-01
1.5139617411 0.57359428604
0.58328591795 1.0798320002
P 1 1.00
0.21570478076 1.0000000
P 1 1.00
0.0417370 1.0000000
D 1 1.00
0.9300000 1.0000000
D 1 1.00
0.1800000 1.0000000
D 1 1.00
0.0540000 1.0000000
****
Ca 0
S 8 1.00
172517.3268500 0.23317502546E-03
25861.5192750 0.18076521980E-02
5885.6618668 0.93943844255E-02
1665.9730031 0.38108409009E-01
542.36718148 0.12331203853
194.57803492 0.29004470954
75.303597636 0.40587151157
29.574062589 0.20398410743
S 4 1.00
191.20074660 -0.24419759759E-01
58.840299883 -0.11547027448
8.9642540845 0.56356636717
3.6856960541 0.56709682704
S 2 1.00
5.2464289726 -0.22825334325
0.84862621528 0.72625219172
S 1 1.00
0.36743300538 1.0000000
S 1 1.00
0.66821582613E-01 1.0000000
S 1 1.00
0.26759730445E-01 1.0000000
P 6 1.00
836.97262058 0.25258346092E-02
197.93040142 0.20076506686E-01
63.135558054 0.91302987366E-01
23.282687170 0.25247029915
9.1176444932 0.39426326344
3.6336120139 0.23011559492
P 3 1.00
13.494163120 -0.26495021951E-01
1.8139259790 0.55088108210
0.71981826006 1.0280616620
P 1 1.00
0.27629576992 1.0000000
P 1 1.00
0.0749790 1.0000000
P 1 1.00
0.0269270 1.0000000
D 2 1.00
5.4979093879 0.73770011433E-01
1.3177128032 0.26052853169
D 1 1.00
0.32188682649 1.0000000
D 1 1.00
0.70528614919E-01 1.0000000
****
Sc 0
S 8 1.00
191612.9187400 0.23076475942E-03
28723.8503630 0.17890329946E-02
6537.0116490 0.92990401140E-02
1850.3097171 0.37739438011E-01
602.38855156 0.12227148359
216.17324766 0.28814821470
83.712517880 0.40517543099
32.908707189 0.20566019623
S 4 1.00
211.34393234 -0.24527991462E-01
65.128920139 -0.11570158142
10.034311535 0.55995283317
4.1596884597 0.56087765073
S 2 1.00
6.0009041613 -0.22840494325
0.98255784150 0.71948970378
S 1 1.00
0.42483192773 1.0000000
S 1 1.00
0.77185462096E-01 1.0000000
S 1 1.00
0.30147219702E-01 1.0000000
P 6 1.00
947.34122823 0.24737208744E-02
224.09699732 0.19742967060E-01
71.560334882 0.90357147549E-01
26.444824490 0.25201602503
10.393798285 0.39675535929
4.1606304559 0.23208624517
P 3 1.00
15.565737135 -0.27129423974E-01
2.1121544865 0.55109256629
0.84184709021 1.0090635806
P 1 1.00
0.32297542652 1.0000000
P 1 1.00
0.0897480 1.0000000
D 4 1.00
30.989390993 0.11902837431E-01
8.6905465069 0.67655856850E-01
2.9520256337 0.21332539722
1.0761910745 0.38391075578
D 1 1.00
0.38338915095 1.0000000
D 1 1.00
0.12534686113 1.0000000
D 1 1.00
0.0410000 1.0000000
F 1 1.00
0.3450000 1.0000000
****
Ti 0
S 8 1.00
211575.6902500 0.23318151011E-03
31714.9450580 0.18079690851E-02
7217.5476543 0.93984311352E-02
2042.9394247 0.38156853618E-01
665.12896208 0.12374757197
238.74942264 0.29208551143
92.508691001 0.41226800855
36.403919209 0.21090534061
S 4 1.00
232.72624607 -0.24920140738E-01
71.791209711 -0.11746490087
11.158534615 0.56503342318
4.6548135416 0.56211101812
S 2 1.00
6.8034629174 -0.23011425503
1.1201076403 0.72103186735
S 1 1.00
0.48080118839 1.0000000
S 1 1.00
0.85157274977E-01 1.0000000
S 1 1.00
0.32657477046E-01 1.0000000
P 6 1.00
1063.1474732 0.24690839320E-02
251.56507061 0.19773345523E-01
80.408554854 0.90987976672E-01
29.768193269 0.25559900413
11.736830556 0.40489386764
4.7142375230 0.23693402558
P 3 1.00
17.796803704 -0.27878639615E-01
2.4272698680 0.55672914668
0.96823445537 1.0055447350
P 1 1.00
0.37056694165 1.0000000
P 1 1.00
0.1015610 1.0000000
D 4 1.00
37.713384723 0.11513835092E-01
10.692931184 0.67246343996E-01
3.6728446990 0.21484207775
1.3588590303 0.38890892779
D 1 1.00
0.49213295253 1.0000000
D 1 1.00
0.16330520653 1.0000000
D 1 1.00
0.0540000 1.0000000
F 1 1.00
0.5620000 1.0000000
****
V 0
S 8 1.00
232340.6505800 0.23072410092E-03
34828.8411700 0.17888178962E-02
7926.5448691 0.92992490131E-02
2243.7733046 0.37761463347E-01
730.59322944 0.12255909662
262.32219631 0.28963508811
101.70403805 0.41004702955
40.064784617 0.21113610858
S 4 1.00
255.24014968 -0.24458116338E-01
78.804646961 -0.11527205366
12.340598946 0.55174749453
5.1742019219 0.54504528489
S 2 1.00
7.6513894469 -0.22967638286
1.2639759898 0.71683769077
S 1 1.00
0.53861761721 1.0000000
S 1 1.00
0.92719296124E-01 1.0000000
S 1 1.00
0.34998055176E-01 1.0000000
P 6 1.00
1184.2369151 0.24449826729E-02
280.23075192 0.19643454466E-01
89.643627137 0.90796949190E-01
33.242411253 0.25650768222
13.144514452 0.40815393750
5.2948534140 0.23860378268
P 3 1.00
20.175586851 -0.28241489023E-01
2.7605865197 0.55574635619
1.1008900902 0.99319919270
P 1 1.00
0.42013310739 1.0000000
P 1 1.00
0.1112480 1.0000000
D 4 1.00
43.861134864 0.11487174238E-01
12.516021891 0.68247153977E-01
4.3313854957 0.21837784195
1.6138855773 0.39245212296
D 1 1.00
0.58749573961 1.0000000
D 1 1.00
0.19515723011 1.0000000
D 1 1.00
0.0650000 1.0000000
F 1 1.00
0.8310000 1.0000000
****
Cr 0
S 8 1.00
254477.8070400 0.23386945693E-03
38131.7970540 0.18142601800E-02
8675.2930607 0.94363925721E-02
2455.0099848 0.38343639367E-01
799.16217787 0.12459194837
286.90021489 0.29489696029
111.25413232 0.41846149607
43.864152636 0.21633763420
S 4 1.00
279.32669173 -0.23450908111E-01
86.274732376 -0.11080370027
13.555756113 0.53028965842
5.6978112751 0.51603516947
S 2 1.00
8.5636582615 -0.38109545675
1.3988296768 1.1991591436
S 1 1.00
0.57288171116 1.0000000
S 1 1.00
0.90096171317E-01 1.0000000
S 1 1.00
0.34125885135E-01 1.0000000
P 6 1.00
1306.4398864 0.24277326185E-02
309.25311441 0.19544041017E-01
98.996273963 0.90651794553E-01
36.756916451 0.25699279154
14.566657077 0.40935504891
5.8739937432 0.23729388849
P 3 1.00
22.890999695 -0.28166026613E-01
3.0855001822 0.56034120148
1.2132329118 0.98119019650
P 1 1.00
0.44931680699 1.0000000
P 1 1.00
0.1206750 1.0000000
D 4 1.00
43.720074476 0.13622964026E-01
12.391242652 0.78935180133E-01
4.2639442006 0.23833840000
1.5525221790 0.39526851122
D 1 1.00
0.53761929485 1.0000000
D 1 1.00
0.16493173074 1.0000000
D 1 1.00
0.0510000 1.0000000
F 1 1.00
1.1470000 1.0000000
****
Mn 0
S 8 1.00
277185.0015300 0.22838385133E-03
41550.7698900 0.17707650375E-02
9455.9700152 0.92077209994E-02
2676.5206482 0.37415971825E-01
871.46687530 0.12164861426
312.98306420 0.28824392499
121.44454051 0.41041600847
47.922598829 0.21372375145
S 4 1.00
303.66723163 -0.24589926140E-01
93.881403187 -0.11602608038
14.879421214 0.55112059677
6.2865200745 0.53707560756
S 2 1.00
9.4858591337 -0.22889262695
1.5698706158 0.71196169587
S 1 1.00
0.65903213608 1.0000000
S 1 1.00
0.10686292371 1.0000000
S 1 1.00
0.39267435433E-01 1.0000000
P 6 1.00
1444.7978182 0.23994136455E-02
342.06551197 0.19369286864E-01
109.58400891 0.90236108988E-01
40.747988173 0.25745467851
16.188626566 0.41272351958
6.5484505964 0.24087700007
P 3 1.00
25.357086437 -0.28707174058E-01
3.4830168782 0.55208100712
1.3858800906 0.97226901379
P 1 1.00
0.52555094893 1.0000000
P 1 1.00
0.1276500 1.0000000
D 4 1.00
56.563189119 0.11543245294532D-01
16.278734711 0.70299845987196D-01
5.6964273914 0.22450770821295
2.1411147942 0.39703065434226
D 1 1.00
0.78291801938 1.0000000
D 1 1.00
0.25952311214 1.0000000
D 1 1.00
0.0860000 1.0000000
F 1 1.00
1.3260000 1.0000000
****
Fe 0
S 8 1.00
300784.8463700 0.22806273096E-03
45088.9705570 0.17681788761E-02
10262.5163170 0.91927083490E-02
2905.2897293 0.37355495807E-01
946.11487137 0.12151108426
339.87832894 0.28818881468
131.94425588 0.41126612677
52.111494077 0.21518583573
S 4 1.00
329.48839267 -0.24745216477E-01
101.92332739 -0.11683089050
16.240462745 0.55293621136
6.8840675801 0.53601640182
S 2 1.00
10.470693782 -0.22912708577
1.7360039648 0.71159319984
S 1 1.00
0.72577288979 1.0000000
S 1 1.00
0.11595528203 1.0000000
S 1 1.00
0.41968227746E-01 1.0000000
P 6 1.00
1585.3959970 0.23793960179E-02
375.38006499 0.19253154755E-01
120.31816501 0.90021836536E-01
44.788749031 0.25798172356
17.829278584 0.41492649744
7.2247153786 0.24207474784
P 3 1.00
28.143219756 -0.29041755152E-01
3.8743241412 0.55312260343
1.5410752281 0.96771136842
P 1 1.00
0.58285615250 1.0000000
P 1 1.00
0.1349150 1.0000000
D 4 1.00
61.996675034 0.11971972255E-01
17.873732552 0.73210135410E-01
6.2744782934 0.23103094314
2.3552337175 0.39910706494
D 1 1.00
0.85432239901 1.0000000
D 1 1.00
0.27869254413 1.0000000
D 1 1.00
0.0910000 1.0000000
F 1 1.00
1.5980000 1.0000000
****
Co 0
S 8 1.00
325817.0155300 0.22568462484E-03
48839.6364530 0.17499397533E-02
11114.9373070 0.91003134097E-02
3146.1603642 0.36996256837E-01
1024.4378465 0.12044269621
368.02508816 0.28598731649
142.91229205 0.40908312004
56.482649209 0.21500145739
S 4 1.00
356.40298318 -0.24767059678E-01
110.31165215 -0.11702139134
17.659634834 0.55215522200
7.5059030479 0.53246877060
S 2 1.00
11.501807176 -0.22942470077
1.9081994606 0.71180933514
S 1 1.00
0.79396696891 1.0000000
S 1 1.00
0.12444448829 1.0000000
S 1 1.00
0.44444645379E-01 1.0000000
P 6 1.00
1731.1369144 0.23905767685E-02
409.91750438 0.19382999967E-01
131.45648578 0.90905448509E-01
48.987439714 0.26146681577
19.537078992 0.42157264570
7.9287281634 0.24571813557
P 3 1.00
31.076017584 -0.29438069973E-01
4.2835180697 0.55615568168
1.7022921563 0.96772195064
P 1 1.00
0.64202908602 1.0000000
P 1 1.00
0.1413080 1.0000000
D 4 1.00
68.140745239 0.11983845360E-01
19.685241019 0.73688540475E-01
6.9322128825 0.23085496779
2.6025125694 0.39281059225
D 1 1.00
0.94016837302 1.0000000
D 1 1.00
0.30381457794 1.0000000
D 1 1.00
0.0980000 1.0000000
F 1 1.00
1.9030000 1.0000000
****
Ni 0
S 8 1.00
351535.7293500 0.22529386884E-03
52695.8092830 0.17468616223E-02
11992.4682930 0.90849992136E-02
3394.5776689 0.36940748447E-01
1105.3594585 0.12032819950
397.14677769 0.28596715057
154.27542974 0.40983020196
61.018723780 0.21620642851
S 4 1.00
384.45559739 -0.24651279268E-01
119.04879199 -0.11658505277
19.137012223 0.54864126676
8.1526718562 0.52640051122
S 2 1.00
12.579408642 -0.22797884293
2.0870866081 0.70703738215
S 1 1.00
0.86432568555 1.0000000
S 1 1.00
0.13283169217 1.0000000
S 1 1.00
0.46845327726E-01 1.0000000
P 6 1.00
1883.0907486 0.23748258443E-02
445.95155320 0.19289457172E-01
143.08430815 0.90718211507E-01
53.372920722 0.26181414117
21.321919357 0.42309149832
8.6643561994 0.24641686015
P 3 1.00
34.144255211 -0.29677129163E-01
4.7122455921 0.55616824096
1.8709231845 0.96357766460
P 1 1.00
0.70370016267 1.0000000
P 1 1.00
0.1465880 1.0000000
D 4 1.00
74.591603465 0.12077454672E-01
21.590632752 0.74637262154E-01
7.6246142580 0.23236775502
2.8632206762 0.39042651680
D 1 1.00
1.0311063388 1.0000000
D 1 1.00
0.33060760691 1.0000000
D 1 1.00
0.1060000 1.0000000
F 1 1.00
2.1740000 1.0000000
****
Cu 0
S 8 1.00
377518.7992300 0.22811766128E-03
56589.9843110 0.17688035931E-02
12878.7117060 0.91993460227E-02
3645.3752143 0.37411016434E-01
1187.0072945 0.12189873737
426.46421902 0.28983900714
165.70660164 0.41531872174
65.598942707 0.21905799287
S 4 1.00
414.41265811 -0.24682525053E-01
128.32056039 -0.11716827406
20.622089750 0.55301315941
8.7821226045 0.52242718609
S 2 1.00
13.741372006 -0.22736061821
2.2431246833 0.71761210873
S 1 1.00
0.89370549079 1.0000000
S 1 1.00
0.10836699534 1.0000000
S 1 1.00
0.38806178058E-01 1.0000000
P 6 1.00
2034.7596692 0.23524822298E-02
481.90468106 0.19134070751E-01
154.67482963 0.90171105278E-01
57.740576969 0.26063284735
23.099052811 0.42093485770
9.3882478591 0.24344615121
P 3 1.00
37.596171210 -0.28991094530E-01
5.1240690810 0.54919083831
2.0119996085 0.93793330488
P 1 1.00
0.73860686002 1.0000000
P 1 1.00
0.1550650 1.0000000
D 4 1.00
74.129460637 0.14363216676E-01
21.359842587 0.86628177096E-01
7.4995240537 0.25631430541
2.7601394169 0.40374062368
D 1 1.00
0.95362061236 1.0000000
D 1 1.00
0.28420862520 1.0000000
D 1 1.00
0.0850000 1.0000000
F 1 1.00
2.2330000 1.0000000
****
Zn 0
S 8 1.00
405924.3102800 0.22442017483E-03
60846.9557350 0.17402086626E-02
13847.3430920 0.90513339565E-02
3919.6158551 0.36817341445E-01
1276.3594167 0.12004850256
458.67254435 0.28576057621
178.28725246 0.41087462062
70.612192837 0.21816962456
S 4 1.00
443.88077950 -0.24934274984E-01
137.55875267 -0.11817955766
22.268083479 0.55367318468
9.5217310606 0.52628934936
S 2 1.00
14.874114065 -0.22929955254
2.4647517612 0.71135484742
S 1 1.00
1.0113272238 1.0000000
S 1 1.00
0.14919852089 1.0000000
S 1 1.00
0.51441872981E-01 1.0000000
P 6 1.00
2205.3508534 0.23356240448E-02
522.35300699 0.19031022634E-01
167.73055542 0.89955758675E-01
62.670045373 0.26113248631
25.109749456 0.42348448173
10.225142681 0.24618926885
P 3 1.00
40.713442521 -0.30029667592E-01
5.6247090696 0.55575254864
2.2279949116 0.95581013442
P 1 1.00
0.83354741691 1.0000000
P 1 1.00
0.1624550 1.0000000
P 1 1.00
0.0477690 1.0000000
D 4 1.00
88.554315311 0.12728170015E-01
25.721525557 0.79394499843E-01
9.1278367624 0.24491506805
3.4312364064 0.40390526479
D 1 1.00
1.2308920645 1.0000000
D 1 1.00
0.39031845112 1.0000000
D 1 1.00
0.1240000 1.0000000
F 1 1.00
2.6140000 1.0000000
****
Ga 0
S 8 1.00
435548.6625400 0.23646329650E-03
65289.5890310 0.18335271776E-02
14858.7842560 0.95371863081E-02
4205.9734729 0.38803412468E-01
1369.6416431 0.12661604848
492.30348905 0.30175310292
191.41923233 0.43543934218
75.840558665 0.23282363780
S 4 1.00
474.30810613 -0.26743707958E-01
147.10297560 -0.12654657542
23.982599435 0.58840346839
10.298230094 0.56324271589
S 2 1.00
16.050381430 -0.24516439508
2.6988468784 0.74578049593
S 1 1.00
1.1428588736 1.0000000
S 1 1.00
0.20217652251 1.0000000
S 1 1.00
0.71980152032E-01 1.0000000
P 6 1.00
2432.0171070 0.22434065928E-02
576.12049582 0.18342265336E-01
185.11584354 0.87279697167E-01
69.246572556 0.25684868351
27.818107777 0.42398378107
11.420229938 0.25701340043
P 3 1.00
42.819661530 -0.19326519119E-01
6.3885901000 0.31571386917
2.6698993326 0.57617792822
P 1 1.00
1.0781783834 1.0000000
P 1 1.00
0.22796559371 1.0000000
P 1 1.00
0.62836234833E-01 1.0000000
D 5 1.00
103.92331829 0.11464613652E-01
30.371094389 0.73625747383E-01
10.872078097 0.23505107382
4.1549137954 0.40318563513
1.5345659145 0.40824748152
D 1 1.00
0.51114263830 1.0000000
D 1 1.00
0.30622000 1.0000000
D 1 1.00
0.11391309 1.0000000
F 1 1.00
0.30996095 1.0000000
****
Ge 0
S 8 1.00
466115.0059200 0.22487264660E-03
69875.4207620 0.17435426729E-02
15903.2767160 0.90691482206E-02
4501.8233453 0.36906174685E-01
1466.0570924 0.12050167907
527.07841728 0.28748641703
205.00395074 0.41622321885
81.251596065 0.22397845695
S 4 1.00
505.74661282 -0.25184609291E-01
156.96593744 -0.11898929721
25.761448176 0.54930135870
11.106654687 0.52939309129
S 2 1.00
17.272059104 -0.22854595728
2.9438289048 0.68377930317
S 1 1.00
1.2839164916 1.0000000
S 1 1.00
0.25873337445 1.0000000
S 1 1.00
0.93524913177E-01 1.0000000
P 6 1.00
2633.9346241 0.22143925310E-02
624.00161628 0.18140899141E-01
200.58528404 0.86632184922E-01
75.097081525 0.25649020592
30.214388474 0.42658611262
12.440087567 0.26200527313
P 3 1.00
45.981316002 -0.20321767678E-01
6.9945654416 0.32013744527
2.9686001327 0.59051014555
P 1 1.00
1.2320988495 1.0000000
P 1 1.00
0.28981614974 1.0000000
P 1 1.00
0.85564606447E-01 1.0000000
D 5 1.00
119.44887581 0.10586544521E-01
35.062915293 0.69601280945E-01
12.636924529 0.22807035287
4.8888672922 0.40301067220
1.8453195392 0.41304847015
D 1 1.00
0.63571158892 1.0000000
D 1 1.00
0.35492132 1.0000000
D 1 1.00
0.13155709 1.0000000
F 1 1.00
0.36210645 1.0000000
****
As 0
S 8 1.00
498032.4215800 0.22740196900E-03
74656.8687430 0.17632816413E-02
16990.9600040 0.91728040381E-02
4809.6200321 0.37337829344E-01
1566.2887055 0.12199536117
563.21360499 0.29137475324
219.11179978 0.42326351479
86.866061030 0.22921464278
S 4 1.00
538.19512479 -0.25254197297E-01
167.14850224 -0.11915461115
27.605517159 0.54628495980
11.947858521 0.53001520976
S 2 1.00
18.538023133 -0.23479188136
3.2018985739 0.69167053428
S 1 1.00
1.4356522077 1.0000000
S 1 1.00
0.31837805200 1.0000000
S 1 1.00
0.11622632186 1.0000000
P 6 1.00
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Kr 0
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Rb 0
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Zr 0
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Nb 0
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Mo 0
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****
Tc 0
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Ru 0
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Rh 0
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Pd 0
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Ag 0
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72.041054824 0.23600367607E-02
41.061316522 -0.85588299453E-02
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Sn 0
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235.26601078 0.81467057272E-03
38.206330645 -0.39057904293E-02
13.097031765 0.53245922343
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****
Sb 0
S 4 1.00
1612.4199933 0.28540380783E-03
238.84452097 0.13393778746E-02
23.998118809 -0.49388154574E-01
15.193124213 0.43392227254
S 2 1.00
11.736409733 0.92125519965
6.5259774794 0.79235280226
S 1 1.00
2.0247451872 1.0000000000
S 1 1.00
0.97113418587 1.0000000000
S 1 1.00
0.24254333998 1.0000000000
S 1 1.00
0.92206608177E-01 1.0000000000
P 3 1.00
215.68393354 0.26051823221E-03
16.374479088 0.73728000195E-01
9.7216283345 -0.27230028128
P 3 1.00
2.7982643154 0.46472692374
1.4711045033 0.50364242075
0.75165385301 0.18706666294
P 1 1.00
0.33168699849 1.0000000000
P 1 1.00
0.13931606366 1.0000000000
P 1 1.00
0.56399307526E-01 1.0000000000
D 6 1.00
115.90312253 0.53140915051E-03
30.474233720 0.59411139166E-02
18.228418239 -0.10563706947E-01
4.3291456646 0.20348177341
2.1294818496 0.42748378928
0.99682636692 0.38539560809
D 1 1.00
0.43347239863 1.0000000000
D 1 1.00
0.14000000000 1.0000000000
F 1 1.00
.32369706 1.00000000
F 1 1.00
1.1 1.0000000000
****
Te 0
S 5 1.00
6213.2001650 0.17392073280E-03
920.89640017 0.11933589842E-02
199.28042708 0.36256556777E-02
24.774233098 -0.59791033012E-01
14.838199169 0.95943203263
S 2 1.00
12.278761954 0.75942429936
6.3807845532 0.35331689542
S 1 1.00
2.2228405205 1.0000000000
S 1 1.00
1.0776043442 1.0000000000
S 1 1.00
0.28136649025 1.0000000000
S 1 1.00
0.10781573341 1.0000000000
P 3 1.00
204.29400852 0.40605406751E-03
18.208759358 0.60255451613E-01
9.9211024302 -0.27491671277
P 3 1.00
3.1441528685 0.43154849974
1.7220884031 0.55403079110
0.89098945714 0.24087311227
P 1 1.00
0.39804719568 1.0000000000
P 1 1.00
0.16538785242 1.0000000000
P 1 1.00
0.65082695586E-01 1.0000000000
D 6 1.00
121.51055249 0.63490629024E-03
32.968794396 0.61811936324E-02
19.249862451 -0.88929825218E-02
4.7198407254 0.20159884764
2.3428061416 0.42976049013
1.1135379412 0.38247126751
D 1 1.00
0.49200061510 1.0000000000
D 1 1.00
0.16000000000 1.0000000000
F 1 1.00
.38255757 1.00000000
F 1 1.00
1.85 1.0000000000
****
I 0
S 5 1.00
5899.5791533 0.24188269271E-03
898.54238765 0.15474041742E-02
200.37237912 0.42836684457E-02
31.418053840 -0.39417936275E-01
15.645987838 0.96086691992
S 2 1.00
11.815741857 0.75961524091
6.4614458287 0.42495501835
S 1 1.00
2.3838067579 1.0000000000
S 1 1.00
1.1712089662 1.0000000000
S 1 1.00
0.32115875757 1.0000000000
S 1 1.00
0.12387919364 1.0000000000
P 3 1.00
197.30030547 0.73951226905E-03
20.061411349 0.66168450008E-01
9.7631460485 -0.28554662348
P 4 1.00
12.984316904 -0.49096186164E-01
3.6199503008 0.38914432482
2.0232273090 0.65610817262
1.0367490559 0.31803551647
P 1 1.00
0.45937816000 1.0000000000
P 1 1.00
0.19116532928 1.0000000000
P 1 1.00
0.74878813023E-01 1.0000000000
D 6 1.00
119.12671745 0.82596039573E-03
33.404240134 0.68377675770E-02
17.805918203 -0.10308158997E-01
4.8990510353 0.22670457658
2.4516753106 0.44180113937
1.1820693432 0.36775472225
D 1 1.00
0.52923110068 1.0000000000
D 1 1.00
0.17000000000 1.0000000000
F 1 1.00
.44141808 1.00000000
F 1 1.00
2.18 1.0000000000
****
Xe 0
S 5 1.00
6420.2481656 0.25092173886E-03
983.54530664 0.16251948178E-02
219.43881364 0.46037106451E-02
23.012587807 -0.14698707182
18.048324490 0.57524870348
S 2 1.00
11.752550163 0.66038420156
6.2390917199 0.38470524721
S 1 1.00
2.6257211320 1.0000000000
S 1 1.00
1.2905042943 1.0000000000
S 1 1.00
0.36204185060 1.0000000000
S 1 1.00
0.14069888091 1.0000000000
P 3 1.00
193.81432545 0.95394802497E-03
21.725228086 0.57393353332E-01
9.8891605641 -0.27974266640
P 4 1.00
13.960683826 -0.50950157807E-01
4.0928947097 0.36669211800
2.2546815460 0.72619456861
1.1546596184 0.35555871740
P 1 1.00
0.52321923128 1.0000000000
P 1 1.00
0.21945569800 1.0000000000
P 1 1.00
0.86158996836E-01 1.0000000000
D 6 1.00
135.60300038 0.81873543290E-03
38.727062692 0.60897654151E-02
15.377328089 -0.92782985596E-02
5.2602537686 0.22890785589
2.6590627424 0.44434407051
1.2938205124 0.36029482992
D 1 1.00
0.58050830139 1.0000000000
D 1 1.00
0.18000000000 1.0000000000
F 1 1.00
.49652793 1.00000000
F 1 1.00
2.5 1.0000000000
****
Cs 0
S 3 1.00
5.8778113443 .12859994983
4.3631538286 -.34632569725
1.8048475155 .69930637051
S 1 1.00
.37485237136 1.0000000000
S 1 1.00
.16384858778 1.0000000000
S 1 1.00
.27230462048E-01 1.0000000000
S 1 1.00
.11991533212E-01 1.0000000000
P 4 1.00
4.2751856154 .45723074174E-01
1.9656663360 -.25019961976
.47689195212 .55660850066
.21529749588 .58218553406
P 1 1.00
.91450850296E-01 1.0000000000
P 1 1.00
.17592078473E-01 1.0000000000
D 1 1.00
0.27941471548 0.15040680034
D 1 1.00
0.62419809739E-01 0.36150912942
D 1 1.00
0.15987870156E-01 1.0000000000
****
Ba 0
S 2 1.00
6.0000000000 -0.56587174838
4.9822082226 0.97514768535
S 1 1.00
2.1451943914 1.0000000000
S 1 1.00
0.41486174100 1.0000000000
S 1 1.00
0.19214757016 1.0000000000
S 1 1.00
0.48465890337E-01 1.0000000000
S 1 1.00
0.20138298948E-01 1.0000000000
P 4 1.00
5.5000000000 -0.44586312998
4.9017938336 0.67755479813
2.6142685062 -0.46010554954
0.47903394983 0.68749608021
P 1 1.00
0.19415138747 1.0000000000
P 1 1.00
0.34917622027E-01 1.0000000000
P 1 1.00
0.16320065666E-01 1.0000000000
D 3 1.00
0.96631500000 -0.90893800000
0.89382800000 0.94724000000
0.27319500000 0.32205700000
D 1 1.00
0.10389100000 1.0000000000
D 1 1.00
0.35578000000E-01 1.0000000000
F 4 1.00
10.00 0.073
3.20 0.210
1.00 0.350
0.32 0.360
****
La 0
S 2 1.00
5.0873990000 -0.44174952534
4.2709780000 0.85812466843
S 1 1.00
2.1823656045 1.0000000000
S 1 1.00
0.48966533785 1.0000000000
S 1 1.00
0.23301675348 1.0000000000
S 1 1.00
0.55719523051E-01 1.0000000000
S 1 1.00
0.22854708808E-01 1.0000000000
P 4 1.00
6.0000000000 -0.11397960924E-01
3.6808191615 0.14675038550
2.3265462081 -0.35581819167
0.64342629633 0.45834955229
P 1 1.00
0.33584281962 1.0000000000
P 1 1.00
0.16519051916 1.0000000000
P 1 1.00
0.354E-01 1.0000000000
D 3 1.00
1.2675288018 -0.17569274035
0.89395340284 0.25139922933
0.33095767339 0.44603267053
D 1 1.00
0.13461377501 1.0000000000
D 1 1.00
0.51441629839E-01 1.0000000000
F 1 1.00
0.25683 1.0
****
Hf 0
S 4 1.00
24.000000000 0.19369448644
16.000000000 -3.5064630782
14.400000000 4.3082581000
10.304504667 -0.91045809742
S 1 1.00
3.8426510824 1.0000000000
S 1 1.00
0.93296029049 1.0000000000
S 1 1.00
0.42615320942 1.0000000000
S 1 1.00
0.93366560195E-01 1.0000000000
S 1 1.00
0.35532895141E-01 1.0000000000
P 4 1.00
17.000000000 -0.30316491880E-01
11.738072097 0.10139279686
4.9203967161 -0.28227924657
1.1251726138 0.52032008501
P 1 1.00
0.54220114055 1.0000000000
P 1 1.00
0.25659447877 1.0000000000
P 1 1.00
0.06500000000 1.0000000000
D 3 1.00
3.9820623229 -0.42446023944E-01
1.3077987772 0.18409232564
0.53272310298 0.41484423516
D 1 1.00
0.20564954488 1.0000000000
D 1 1.00
0.73099858787E-01 1.0000000000
F 1 1.00
0.31547 1.0
****
Ta 0
S 4 1.00
24.473650944 0.20590322488
18.721372549 -0.74670795514
11.500000000 3.4071363897
10.350000000 -2.8175487609
S 1 1.00
3.8436180089 1.0000000000
S 1 1.00
1.0202266016 1.0000000000
S 1 1.00
0.46774781869 1.0000000000
S 1 1.00
0.10323186670 1.0000000000
S 1 1.00
0.38674461203E-01 1.0000000000
P 4 1.00
17.000000000 -0.32577305616E-01
12.008186536 0.10336287365
5.0278760583 -0.28526521696
1.1937124184 0.51790141155
P 1 1.00
0.57889707053 1.0000000000
P 1 1.00
0.27225198801 1.0000000000
P 1 1.00
0.06500000000 1.0000000000
D 3 1.00
3.9738796278 -0.52799310714E-01
1.4528884813 0.18558319471
0.61042908544 0.42959071631
D 1 1.00
0.24216276510 1.0000000000
D 1 1.00
0.87909318337E-01 1.0000000000
F 1 1.00
0.37386 1.0
****
W 0
S 3 1.00
30.000000000 0.32246483410
27.000000000 -0.46692257214
13.078045684 0.42699563776
S 1 1.00
4.8100449717 1.0000000000
S 1 1.00
0.98497804263 1.0000000000
S 1 1.00
0.44910485344 1.0000000000
S 1 1.00
0.11448352920 1.0000000000
S 1 1.00
0.41720421956E-01 1.0000000000
P 4 1.00
17.000000000 -0.37817768433E-01
12.431973432 0.10905673845
5.1586217658 -0.29399955020
1.2801454812 0.51560726697
P 1 1.00
0.62856790898 1.0000000000
P 1 1.00
0.29380423553 1.0000000000
P 1 1.00
0.06500000000 1.0000000000
D 4 1.00
7.4064737315 0.86993963018E-01
5.9026268603 -0.17667540011
1.2984756750 0.55145697030
0.57153508541 0.95313596535
D 1 1.00
0.23845526606 1.0000000000
D 1 1.00
0.91144267331E-01 1.0000000000
F 1 1.00
0.43199 1.0
****
Re 0
S 3 1.00
30.000000000 0.31780717811
27.000000000 -0.46492321332
13.078045684 0.45723641305
S 1 1.00
5.0352712861 1.0000000000
S 1 1.00
1.0482706438 1.0000000000
S 1 1.00
0.47708773413 1.0000000000
S 1 1.00
0.12225857255 1.0000000000
S 1 1.00
0.44007400609E-01 1.0000000000
P 4 1.00
18.000000000 -0.26890962397E-01
12.318606250 0.99711498502E-01
5.3719234505 -0.29289398145
1.3506646748 0.51466301434
P 1 1.00
0.66212816808 1.0000000000
P 1 1.00
0.31071385193 1.0000000000
P 1 1.00
0.07000000000 1.0000000000
D 4 1.00
7.7352877672 0.83901798556E-01
6.0949443610 -0.17722258734
1.3871105497 0.55238259692
0.62324027854 0.91980111239
D 1 1.00
0.26517328547 1.0000000000
D 1 1.00
0.10321096849 1.0000000000
F 1 1.00
0.48989 1.0
****
Os 0
S 3 1.00
30.000000000 0.32213004804
27.000000000 -0.47922918137
13.524730005 0.47465946837
S 1 1.00
5.2402883472 1.0000000000
S 1 1.00
1.1306661245 1.0000000000
S 1 1.00
0.51689966917 1.0000000000
S 1 1.00
0.13222953545 1.0000000000
S 1 1.00
0.47220318801E-01 1.0000000000
P 4 1.00
15.500000000 0.16016463376
14.000000000 -0.23201520402
5.5458290420 0.29772587274
1.4139502215 -0.54253238176
P 1 1.00
0.68136686765 1.0000000000
P 1 1.00
0.30911452647 1.0000000000
P 1 1.00
0.52000000000E-01 1.0000000000
D 4 1.00
8.2945059487 0.69648222110E-01
6.3060397430 -0.16444229630
1.4890109110 0.55154541033
0.67315390607 0.88461370291
D 1 1.00
0.28590805222 1.0000000000
D 1 1.00
0.11058012051 1.0000000000
F 1 1.00
0.55065 1.0
****
Ir 0
S 3 1.00
30.000000000 0.30797903228
27.000000000 -0.46726361781
13.961973911 0.47161003146
S 1 1.00
5.3956977802 1.0000000000
S 1 1.00
1.2149128721 1.0000000000
S 1 1.00
0.55885743756 1.0000000000
S 1 1.00
0.14097974313 1.0000000000
S 1 1.00
0.50021924989E-01 1.0000000000
P 4 1.00
15.902664143 -0.16290720099
14.415830698 0.23483212987
5.7597608991 -0.30305337176
1.5008913108 0.55512982069
P 1 1.00
0.72348035957 1.0000000000
P 1 1.00
0.32785980328 1.0000000000
P 1 1.00
0.56000000000E-01 1.0000000000
D 4 1.00
8.6321692504 0.75000099949E-01
6.5898192302 -0.17326965173
1.5808379663 0.55065196913
0.71827834905 0.85273641436
D 1 1.00
0.30571851998 1.0000000000
D 1 1.00
0.11827071879 1.0000000000
F 1 1.00
0.61008 1.0
****
Pt 0
S 3 1.00
30.000000000 0.27148263900
27.000000000 -0.42226758774
14.408318564 0.44361581995
S 1 1.00
5.5335788010 1.0000000000
S 1 1.00
1.2986438223 1.0000000000
S 1 1.00
0.58759393108 1.0000000000
S 1 1.00
0.13845587261 1.0000000000
S 1 1.00
0.49204459888E-01 1.0000000000
P 4 1.00
15.500000000 -0.15672718629
14.000000000 0.23853412989
6.1161212339 -0.31041379733
1.5715586385 0.56473525089
P 1 1.00
0.75132510781 1.0000000000
P 1 1.00
0.33306466812 1.0000000000
P 1 1.00
0.57000000000E-01 1.0000000000
D 4 1.00
8.3207937611 0.62945798646E-01
7.4207226520 -0.90271847072E-01
1.6570410639 0.16812526416
0.73943569960 0.25045416970
D 1 1.00
0.30510856008 1.0000000000
D 1 1.00
0.11350405268 1.0000000000
F 1 1.00
0.66813 1.0
****
Au 0
S 3 1.00
30.000000000 0.20749231108
27.000000000 -0.33267893394
14.746824331 0.38302817958
S 1 1.00
5.6017248938 1.0000000000
S 1 1.00
1.3874162443 1.0000000000
S 1 1.00
0.62923031957 1.0000000000
S 1 1.00
0.14027517613 1.0000000000
S 1 1.00
0.49379413761E-01 1.0000000000
P 4 1.00
15.500000000 0.15001711880
14.000000000 -0.23609813183
6.4227368205 0.31458896948
1.6595601681 -0.57279670446
P 1 1.00
0.79402913993 1.0000000000
P 1 1.00
0.35125155397 1.0000000000
P 1 1.00
0.45000000000E-01 1.0000000000
D 4 1.00
9.5524098656 0.40145559502E-01
7.2698886937 -0.93690906606E-01
1.7746496789 0.31746282317
0.79960541055 0.46795192483
D 1 1.00
0.33252279372 1.0000000000
D 1 1.00
0.12445133105 1.0000000000
F 1 1.00
0.72482 1.0
****
Hg 0
S 3 1.00
48.013786990 0.58008164912E-02
21.239875095 -0.17328165235
15.876100879 0.36416685034
S 1 1.00
5.5180531820 1.0000000000
S 1 1.00
1.5099145479 1.0000000000
S 1 1.00
0.70683482159 1.0000000000
S 1 1.00
0.16266265576 1.0000000000
S 1 1.00
0.56960589112E-01 1.0000000000
P 4 1.00
17.500000000 -0.86457187331E-01
15.252594855 0.15327318234
6.4404715169 -0.30274955249
1.8180159920 0.54361285026
P 1 1.00
0.90067981801 1.0000000000
P 1 1.00
0.41304540122 1.0000000000
P 1 1.00
0.11845702655 1.0000000000
P 1 1.00
0.36087619349E-01 1.0000000000
D 4 1.00
10.028197701 0.39922353165E-01
7.5920661493 -0.94774230522E-01
1.9144256118 0.31164157463
0.88641552102 0.45567078406
D 1 1.00
0.38154235320 1.0000000000
D 1 1.00
0.14880740086 1.0000000000
F 1 1.00
0.79569 1.0
****
Tl 0
S 4 1.00
729.65038145 0.13672829828E-03
46.665548707 0.60443439951E-02
20.970448726 -0.20022066697
14.149588677 0.40801678488
S 2 1.00
20.730134285 -0.71861135918E-01
6.1527631309 0.98057508445
S 1 1.00
1.5757324480 1.0000000000
S 1 1.00
0.74980169458 1.0000000000
S 1 1.00
0.19536816194 1.0000000000
S 1 1.00
0.70878767298E-01 1.0000000000
P 3 1.00
15.383852616 0.61717949180
14.814929544 -0.72859235151
6.7261253658 0.40438195364
P 3 1.00
1.9626182149 0.43157661160
1.0331857851 0.39230403853
0.53837445996 0.14007406820
P 1 1.00
0.24446611676 1.0000000000
P 1 1.00
0.90785377260E-01 1.0000000000
P 1 1.00
0.33401321498E-01 1.0000000000
D 6 1.00
57.606819928 0.16054811114E-03
9.7368866667 0.24456562496E-01
6.9256201679 -0.69914775031E-01
2.1396230731 0.19496269490
1.0836187110 0.29731629705
0.52356298209 0.23728708102
D 1 1.00
0.23842309375 1.0000000000
D 1 1.00
0.95000000000E-01 1.0000000000
F 1 1.00
.28435 1.0000000
F 1 1.00
0.95 1.0000000000
****
Pb 0
S 4 1.00
591.61124370 0.22126521076E-03
46.757232559 0.56961959130E-02
20.746462696 -0.21374063831
14.610796419 0.40502620616
S 2 1.00
20.222637612 -0.83541883299E-01
6.4767324865 0.97910892388
S 1 1.00
1.6600600927 1.0000000000
S 1 1.00
0.80431655001 1.0000000000
S 1 1.00
0.22627039020 1.0000000000
S 1 1.00
0.84014530665E-01 1.0000000000
P 3 1.00
15.189102118 0.61952303583
14.693144415 -0.72498497086
6.8705890048 0.37680007984
P 3 1.00
2.2021426123 0.40196284806
1.2209125119 0.46058131862
0.63367559815 0.19367655397
P 1 1.00
0.28202837058 1.0000000000
P 1 1.00
0.11333375666 1.0000000000
P 1 1.00
0.43948707430E-01 1.0000000000
D 6 1.00
61.315369628 0.33870800787E-03
12.372195840 0.13788683942E-01
6.9254944983 -0.75979608103E-01
2.3319539939 0.28113784298
1.2108730003 0.44474512269
0.60090478506 0.35326874351
D 1 1.00
0.28135869813 1.0000000000
D 1 1.00
0.11500000000 1.0000000000
F 1 1.00
.28962 1.0000000
F 1 1.00
1.0 1.0000000000
****
Bi 0
S 4 1.00
716.41435310 0.31254307133E-03
83.806059047 0.17624768946E-02
21.116962853 -0.21910983437
15.491448187 0.40411224931
S 2 1.00
23.239855029 -0.68255758685E-01
6.6474255000 0.97888046471
S 1 1.00
1.7617744005 1.0000000000
S 1 1.00
0.87252866000 1.0000000000
S 1 1.00
0.25618895997 1.0000000000
S 1 1.00
0.97073913006E-01 1.0000000000
P 3 1.00
15.249644669 0.74560356000
14.846176053 -0.85578637338
7.0636826784 0.40149159592
P 3 1.00
2.5881255616 0.35542729633
1.5020208499 0.63976991890
0.76732724388 0.32332773839
P 1 1.00
0.32797648982 1.0000000000
P 1 1.00
0.13820335991 1.0000000000
P 1 1.00
0.55137330969E-01 1.0000000000
D 6 1.00
66.404481948 0.38102878348E-03
13.858426961 0.10746152442E-01
7.0654519000 -0.71947646845E-01
2.5252144035 0.26195974989
1.3419585000 0.42594750000
0.68340941000 0.33680325627
D 1 1.00
0.32934755420 1.0000000000
D 1 1.00
0.14000000000 1.0000000000
F 1 1.00
.31271 1.0000000
F 1 1.00
1.05 1.0000000000
****
Po 0
S 5 1.00
6744.8211765 0.76891556363E-04
744.41892532 0.71284827354E-03
131.04029309 0.22057583958E-02
19.662021030 -0.64364713744
16.623025609 0.91997150546
S 2 1.00
23.094002965 -0.70404410177E-01
6.9707398381 0.97886540086
S 1 1.00
1.8497377593 1.0000000000
S 1 1.00
0.93082999263 1.0000000000
S 1 1.00
0.28673026462 1.0000000000
S 1 1.00
0.10979212169 1.0000000000
P 3 1.00
253.99024497 0.83876362116E-04
9.8712718748 0.24572710458
7.4489893496 -0.44297763661
P 4 1.00
8.9027395407 -0.13798250445
5.7414667465 0.26304005326
1.9896329823 0.66225846161
0.94703210822 0.39547051892
P 1 1.00
0.37071136280 1.0000000000
P 1 1.00
0.15554706086 1.0000000000
P 1 1.00
0.61173720818E-01 1.0000000000
D 6 1.00
67.943077046 0.48919125336E-03
14.914219894 0.10157120776E-01
7.2973948305 -0.69943263066E-01
2.6826784400 0.26244730680
1.4374143009 0.42702361494
0.73903797417 0.32502435477
D 1 1.00
0.35838153281 1.0000000000
D 1 1.00
0.15000000000 1.0000000000
F 1 1.00
.33275 1.0000000
F 1 1.00
1.4 1.0000000000
****
At 0
S 5 1.00
3635.9809356 0.12571463494E-03
537.64129823 0.75950883820E-03
91.600030756 0.25790982348E-02
20.200005804 -0.54772187699
16.893873824 0.78417507786
S 2 1.00
18.177216938 -0.13023627002
7.2317852082 0.96473566747
S 1 1.00
1.9496199739 1.0000000000
S 1 1.00
0.99226695236 1.0000000000
S 1 1.00
0.31957178881 1.0000000000
S 1 1.00
0.12342539809 1.0000000000
P 3 1.00
216.81518928 0.16975297090E-03
10.592298115 0.22683755793
7.4596585430 -0.47336848377
P 4 1.00
8.9484156471 -0.15012953475
5.9694592464 0.27048141788
2.1099088209 0.63671217722
1.0236370373 0.38057472615
P 1 1.00
0.42186356565 1.0000000000
P 1 1.00
0.17757132268 1.0000000000
P 1 1.00
0.69670886939E-01 1.0000000000
D 6 1.00
70.619633393 0.59974022914E-03
16.212096478 0.93445952839E-02
7.3607401479 -0.70748413897E-01
2.9309052592 0.24037366077
1.6085414823 0.41841372624
0.84194162715 0.32832651044
D 1 1.00
0.41335677957 1.0000000000
D 1 1.00
0.17400000000 1.0000000000
F 1 1.00
.37408 1.0000000
F 1 1.00
1.8 1.0000000000
****
Rn 0
S 5 1.00
5187.7442468 0.16097034848E-03
768.14491207 0.10508214789E-02
159.35182065 0.27375438093E-02
21.863432724 -0.55045904905
18.388689978 0.78321373922
S 2 1.00
24.816226448 -0.82636797204E-01
7.2923301677 1.0926256000
S 1 1.00
2.0850437166 1.0000000000
S 1 1.00
1.0915245945 1.0000000000
S 1 1.00
0.34915708428 1.0000000000
S 1 1.00
0.13648422952 1.0000000000
P 3 1.00
194.68918723 0.26265814046E-03
11.210013525 0.19952302621
7.5298316489 -0.45994479561
P 4 1.00
9.0845000304 -0.23093917426
6.2631489717 0.39747614192
2.2545193734 0.83026693838
1.1180666918 0.51467013112
P 1 1.00
0.47444492594 1.0000000000
P 1 1.00
0.20172354616 1.0000000000
P 1 1.00
0.79503144392E-01 1.0000000000
D 6 1.00
75.302723665 0.73590238429E-03
17.965913830 0.89490827389E-02
7.3741298033 -0.76641663693E-01
3.2296258578 0.22975404602
1.7937840508 0.43991495311
0.94633319732 0.35259395198
D 1 1.00
0.46860482223 1.0000000000
D 1 1.00
0.20000000000 1.0000000000
F 1 1.00
.41806 1.0000000
F 1 1.00
2.1 1.0000000000
****
! Def2-ECP EMSL Basis Set Exchange Library 4/24/17 11:32 AM
! Elements References
! -------- ----------
! Y-Cd(ecp-28), Hf-Hg(ecp-46): D. Andrae,U. Haeussermann, M.Dolg, H.Stoll, H.Preuss, Theor.Chim.Acta, 1990, 77, 123?141.
! In-Sb(ecp-28), Tl-Bi(ecp-46): B. Metz, H. Stoll, M. Dolg, J. Chem. Phys., 2000, 113, 2563?2569.
! Te-Xe(ecp-28), Po-Rn(ecp-46): K. A. Peterson, D. Figgen, E. Goll, H. Stoll, M. Dolg, J. Chem. Phys., 2003, 119, 11113?11123.
! Rb(ecp-28), Cs(ecp-46): T.Leininger, A.Nicklass, W.Kuechle, H.Stoll, M.Dolg, A.Bergner, Chem. Phys. Lett., 1996, 255, 274?280.
! Sr(ecp-28), Ba(ecp-46): M. Kaupp, P. V. Schleyer, H. Stoll and H. Preuss, J. Chem. Phys., 1991, 94, 1360?1366.
!
RB 0
RB-ECP 3 28
f-ul potential
1
2 3.8431140 -12.3169000
s-ul potential
3
2 5.0365510 89.5001980
2 1.9708490 0.4937610
2 3.8431140 12.3169000
p-ul potential
3
2 4.2583410 58.5689740
2 1.4707090 0.4317910
2 3.8431140 12.3169000
d-ul potential
3
2 3.0231270 26.2248980
2 0.6503830 0.9628390
2 3.8431140 12.3169000
SR 0
SR-ECP 3 28
f-ul potential
1
2 4.6339750 -15.8059920
s-ul potential
3
2 7.4000740 135.4794300
2 3.6063790 17.5344630
2 4.6339750 15.8059920
p-ul potential
3
2 6.4848680 88.3597090
2 3.2880530 15.3943720
2 4.6339750 15.8059920
d-ul potential
3
2 4.6228410 29.8889870
2 2.2469040 6.6594140
2 4.6339750 15.8059920
Y 0
Y-ECP 3 28
f-ul potential
2
2 6.5842120 -19.12219811
2 3.2921060 -2.43637543
s-ul potential
4
2 7.4880494 135.15384412
2 3.7440247 15.55244130
2 6.5842120 19.12219811
2 3.2921060 2.43637543
p-ul potential
4
2 6.4453772 87.78499167
2 3.2226886 11.56406599
2 6.5842120 19.12219811
2 3.2921060 2.43637543
d-ul potential
4
2 4.6584472 29.70100072
2 2.3292236 5.53996847
2 6.5842120 19.12219811
2 3.2921060 2.43637543
ZR 0
ZR-ECP 3 28
f-ul potential
2
2 7.5400000 -21.09377605
2 3.7700000 -3.08069427
s-ul potential
4
2 8.2000000 150.26759106
2 4.0897278 18.97621650
2 7.5400000 21.09377605
2 3.7700000 3.08069427
p-ul potential
4
2 7.1100000 99.62212372
2 3.5967980 14.16873329
2 7.5400000 21.09377605
2 3.7700000 3.08069427
d-ul potential
4
2 5.3500000 35.04512355
2 2.4918215 6.11125948
2 7.5400000 21.09377605
2 3.7700000 3.08069427
NB 0
NB-ECP 3 28
f-ul potential
2
2 8.4900000 -22.92954996
2 4.2500000 -3.66630986
s-ul potential
4
2 8.9000000 165.17914349
2 4.4300000 21.99297437
2 8.4900000 22.92954996
2 4.2500000 3.66630986
p-ul potential
4
2 7.7700000 111.79441445
2 3.9600000 16.63348326
2 8.4900000 22.92954996
2 4.2500000 3.66630986
d-ul potential
4
2 6.0500000 38.11224880
2 2.8400000 8.03916727
2 8.4900000 22.92954996
2 4.2500000 3.66630986
MO 0
MO-ECP 3 28
f-ul potential
2
2 9.4500000 -24.80517707
2 4.7200000 -4.15378155
s-ul potential
4
2 9.7145938 180.10310850
2 4.6805004 24.99722791
2 9.4500000 24.80517707
2 4.7200000 4.15378155
p-ul potential
4
2 8.1421366 123.77275231
2 4.6259863 19.53022800
2 9.4500000 24.80517707
2 4.7200000 4.15378155
d-ul potential
4
2 6.6184148 48.37502229
2 3.2487516 8.89205274
2 9.4500000 24.80517707
2 4.7200000 4.15378155
TC 0
TC-ECP 3 28
f-ul potential
2
2 10.4000000 -26.56244747
2 5.2000000 -4.58568054
s-ul potential
4
2 10.4223462 195.15916591
2 5.0365160 28.09260333
2 10.4000000 26.56244747
2 5.2000000 4.58568054
p-ul potential
4
2 8.9504494 135.28456622
2 4.8544394 21.80650430
2 10.4000000 26.56244747
2 5.2000000 4.58568054
d-ul potential
4
2 6.9456968 54.32972942
2 3.9705849 11.15506795
2 10.4000000 26.56244747
2 5.2000000 4.58568054
RU 0
RU-ECP 3 28
f-ul potential
2
2 11.3600000 -28.34061627
2 5.6800000 -4.94462923
s-ul potential
4
2 11.1052693 209.82297122
2 5.4147454 30.65472642
2 11.3600000 28.34061627
2 5.6800000 4.94462923
p-ul potential
4
2 9.7712707 146.33618228
2 5.0739908 24.12787723
2 11.3600000 28.34061627
2 5.6800000 4.94462923
d-ul potential
4
2 7.6714231 67.51589667
2 4.1365647 9.87010415
2 11.3600000 28.34061627
2 5.6800000 4.94462923
RH 0
RH-ECP 3 28
f-ul potential
2
2 12.3100000 -30.09345572
2 6.1600000 -5.21848192
s-ul potential
4
2 11.7200000 225.34775353
2 5.8200000 32.82318898
2 12.3100000 30.09345572
2 6.1600000 5.21848192
p-ul potential
4
2 10.4200000 158.70941159
2 5.4500000 26.44410049
2 12.3100000 30.09345572
2 6.1600000 5.21848192
d-ul potential
4
2 8.8200000 62.75862572
2 3.8700000 10.97871947
2 12.3100000 30.09345572
2 6.1600000 5.21848192
PD 0
PD-ECP 3 28
f-ul potential
2
2 13.2700000 -31.92955431
2 6.6300000 -5.39821694
s-ul potential
4
2 12.4300000 240.22904033
2 6.1707594 35.17194347
2 13.2700000 31.92955431
2 6.6300000 5.39821694
p-ul potential
4
2 11.0800000 170.41727605
2 5.8295541 28.47213287
2 13.2700000 31.92955431
2 6.6300000 5.39821694
d-ul potential
4
2 9.5100000 69.01384488
2 4.1397811 11.75086158
2 13.2700000 31.92955431
2 6.6300000 5.39821694
AG 0
AG-ECP 3 28
f-ul potential
2
2 14.2200000 -33.68992012
2 7.1100000 -5.53112021
s-ul potential
4
2 13.1300000 255.13936452
2 6.5100000 36.86612154
2 14.2200000 33.68992012
2 7.1100000 5.53112021
p-ul potential
4
2 11.7400000 182.18186871
2 6.2000000 30.35775148
2 14.2200000 33.68992012
2 7.1100000 5.53112021
d-ul potential
4
2 10.2100000 73.71926087
2 4.3800000 12.50211712
2 14.2200000 33.68992012
2 7.1100000 5.53112021
CD 0
CD-ECP 3 28
f-ul potential
2
2 15.1847957 -35.47662555
2 7.5923978 -5.61767685
s-ul potential
4
2 13.8358689 270.00948324
2 6.8572704 38.76730798
2 15.1847957 35.47662555
2 7.5923978 5.61767685
p-ul potential
4
2 12.4049710 193.82962939
2 6.5677995 31.89652523
2 15.1847957 35.47662555
2 7.5923978 5.61767685
d-ul potential
4
2 10.8969253 79.19364700
2 4.6411649 13.23082674
2 15.1847957 35.47662555
2 7.5923978 5.61767685
IN 0
IN-ECP 3 28
f-ul potential
2
2 12.53905600 -13.72807800
2 12.55256100 -18.20686600
s-ul potential
4
2 15.39282200 281.12235000
2 8.05586400 61.90147000
2 12.53905600 13.72807800
2 12.55256100 18.20686600
p-ul potential
6
2 13.92867200 67.46215400
2 13.34723400 134.94925000
2 7.61413200 14.74614000
2 7.31836500 29.63926200
2 12.53905600 13.72807800
2 12.55256100 18.20686600
d-ul potential
6
2 14.03471500 35.49325400
2 14.51161600 53.17877300
2 5.55055000 9.17728100
2 5.05941500 12.39241000
2 12.53905600 13.72807800
2 12.55256100 18.20686600
SN 0
SN-ECP 3 28
f-ul potential
2
2 12.28234800 -12.57633300
2 12.27215000 -16.59594400
s-ul potential
4
2 17.42041400 279.98868200
2 7.63115500 62.37781000
2 12.28234800 12.57633300
2 12.27215000 16.59594400
p-ul potential
6
2 16.13102400 66.16252300
2 15.62807700 132.17439600
2 7.32560800 16.33941700
2 6.94251900 32.48895900
2 12.28234800 12.57633300
2 12.27215000 16.59594400
d-ul potential
6
2 15.51497600 36.38744100
2 15.18816000 54.50784100
2 5.45602400 8.69682300
2 5.36310500 12.84020800
2 12.28234800 12.57633300
2 12.27215000 16.59594400
SB 0
SB-ECP 3 28
f-ul potential
2
2 14.44497800 -15.36680100
2 14.44929500 -20.29613800
s-ul potential
4
2 16.33086500 281.07158100
2 8.55654200 61.71660400
2 14.44497800 15.36680100
2 14.44929500 20.29613800
p-ul potential
6
2 14.47033700 67.45738000
2 13.81619400 134.93350300
2 8.42492400 14.71634400
2 8.09272800 29.51851200
2 14.44497800 15.36680100
2 14.44929500 20.29613800
d-ul potential
6
2 14.88633100 35.44781500
2 15.14631900 53.14346600
2 5.90826700 9.17922300
2 5.59432200 13.24025300
2 14.44497800 15.36680100
2 14.44929500 20.29613800
TE 0
TE-ECP 3 28
f-ul potential
2
2 15.20616800 -15.74545000
2 15.20170200 -20.74244800
s-ul potential
4
2 16.81447300 281.04584300
2 8.79352600 61.62065600
2 15.20616800 15.74545000
2 15.20170200 20.74244800
p-ul potential
6
2 14.87780100 67.44946400
2 14.26973100 134.90430400
2 8.72443500 14.68954700
2 8.29151500 29.41506300
2 15.20616800 15.74545000
2 15.20170200 20.74244800
d-ul potential
6
2 15.20500800 35.43205700
2 15.22584800 53.13568700
2 6.07176900 9.06980200
2 5.80476000 13.12230400
2 15.20616800 15.74545000
2 15.20170200 20.74244800
I 0
I-ECP 3 28
f-ul potential
4
2 19.45860900 -21.84204000
2 19.34926000 -28.46819100
2 4.82376700 -0.24371300
2 4.88431500 -0.32080400
s-ul potential
7
2 40.01583500 49.99429300
2 17.42974700 281.02531700
2 9.00548400 61.57332600
2 19.45860900 21.84204000
2 19.34926000 28.46819100
2 4.82376700 0.24371300
2 4.88431500 0.32080400
p-ul potential
8
2 15.35546600 67.44284100
2 14.97183300 134.88113700
2 8.96016400 14.67505100
2 8.25909600 29.37566600
2 19.45860900 21.84204000
2 19.34926000 28.46819100
2 4.82376700 0.24371300
2 4.88431500 0.32080400
d-ul potential
10
2 15.06890800 35.43952900
2 14.55532200 53.17605700
2 6.71864700 9.06719500
2 6.45639300 13.20693700
2 1.19177900 0.08933500
2 1.29115700 0.05238000
2 19.45860900 21.84204000
2 19.34926000 28.46819100
2 4.82376700 0.24371300
2 4.88431500 0.32080400
XE 0
XE-ECP 3 28
f-ul potential
4
2 20.88155700 -23.08929500
2 20.78344300 -30.07447500
2 5.25338900 -0.28822700
2 5.36118800 -0.38692400
s-ul potential
7
2 40.00518400 49.99796200
2 17.81221400 281.01330300
2 9.30415000 61.53825500
2 20.88155700 23.08929500
2 20.78344300 30.07447500
2 5.25338900 0.28822700
2 5.36118800 0.38692400
p-ul potential
8
2 15.70177200 67.43914200
2 15.25860800 134.87471100
2 9.29218400 14.66330000
2 8.55900300 29.35473000
2 20.88155700 23.08929500
2 20.78344300 30.07447500
2 5.25338900 0.28822700
2 5.36118800 0.38692400
d-ul potential
10
2 15.18560000 35.43690800
2 14.28450000 53.19577200
2 7.12188900 9.04623200
2 6.99196300 13.22368100
2 0.62394600 0.08485300
2 0.64728400 0.04415500
2 20.88155700 23.08929500
2 20.78344300 30.07447500
2 5.25338900 0.28822700
2 5.36118800 0.38692400
CS 0
CS-ECP 3 46
f-ul potential
1
2 3.1232690 -28.8843090
s-ul potential
3
2 4.0797500 84.5477300
2 2.4174060 16.6541730
2 3.1232690 28.8843090
p-ul potential
3
2 5.5140800 157.0490590
2 2.1603160 26.4233070
2 3.1232690 28.8843090
d-ul potential
3
2 1.8074100 13.1727530
2 0.8581820 3.3428330
2 3.1232690 28.8843090
BA 0
BA-ECP 3 46
f-ul potential
1
2 3.5894650 -33.4731740
s-ul potential
3
2 9.5269860 427.8458160
2 4.4875100 204.4175300
2 3.5894650 33.4731740
p-ul potential
3
2 8.3159300 293.6058640
2 4.2922170 294.1933160
2 3.5894650 33.4731740
d-ul potential
3
2 5.9161080 112.5504020
2 2.8748420 181.7826210
2 3.5894650 33.4731740
LA 0
LA-ECP 3 46
f-ul potential
1
2 4.0286000 -36.0100160
s-ul potential
3
2 3.3099000 91.9321770
2 1.6550000 -3.7887640
2 4.0286000 36.0100160
p-ul potential
3
2 2.8368000 63.7594860
2 1.4184000 -0.6479580
2 4.0286000 36.0100160
d-ul potential
3
2 2.0213000 36.1161730
2 1.0107000 0.2191140
2 4.0286000 36.0100160
HF 0
HF-ECP 3 60
f-ul potential
1
2 1.78576984 10.04672251
s-ul potential
3
2 14.76995900 1499.28471073
2 7.38497940 40.28210136
2 1.78576984 -10.04672251
p-ul potential
3
2 9.84948950 397.73300533
2 4.92474450 19.31640586
2 1.78576984 -10.04672251
d-ul potential
3
2 6.09675640 101.32980526
2 3.04837820 5.87343821
2 1.78576984 -10.04672251
TA 0
TA-ECP 3 60
f-ul potential
1
2 2.01788111 12.01796094
s-ul potential
3
2 14.54640770 1345.88064703
2 7.27320380 36.76680620
2 2.01788111 -12.01796094
p-ul potential
3
2 9.93556529 378.42530145
2 4.96778243 22.29309086
2 2.01788111 -12.01796094
d-ul potential
3
2 6.34737691 104.88395571
2 3.17368846 8.75584805
2 2.01788111 -12.01796094
W 0
W-ECP 3 60
f-ul potential
1
2 2.25888846 14.15257947
s-ul potential
3
2 14.32285640 1192.39588226
2 7.16142810 32.52293315
2 2.25888846 -14.15257947
p-ul potential
3
2 10.02164110 359.03196711
2 5.01082040 24.03038019
2 2.25888846 -14.15257947
d-ul potential
3
2 6.59799743 108.30134897
2 3.29899871 10.98252827
2 2.25888846 -14.15257947
RE 0
RE-ECP 3 60
f-ul potential
1
2 2.50865059 16.44985227
s-ul potential
3
2 14.09930510 1038.95157226
2 7.04965250 29.56173830
2 2.50865059 -16.44985227
p-ul potential
3
2 10.10771690 339.54350965
2 5.05385830 24.91369646
2 2.50865059 -16.44985227
d-ul potential
3
2 6.84861794 111.69965275
2 3.42430897 12.62432927
2 2.50865059 -16.44985227
OS 0
OS-ECP 3 60
f-ul potential
1
2 2.76707510 18.90945701
s-ul potential
3
2 13.87575390 885.40571914
2 6.93787690 25.96704014
2 2.76707510 -18.90945701
p-ul potential
3
2 10.19379260 320.08390185
2 5.09689620 26.14876493
2 2.76707510 -18.90945701
d-ul potential
3
2 7.09923846 115.04484313