/usr/share/psi/basis/def2-svp.gbs is in psi4-data 1:0.3-5.
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!
! Def2-SVP EMSL Basis Set Exchange Library 3/17/14 10:18 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
13.0107010 0.19682158E-01
1.9622572 0.13796524
0.44453796 0.47831935
S 1 1.00
0.12194962 1.0000000
P 1 1.00
0.8000000 1.0000000
****
He 0
S 3 1.00
38.354936737 0.23814288905E-01
5.7689081479 0.15490906777
1.2399407035 0.46998096633
S 1 1.00
0.29757815953 1.0000000
P 1 1.00
1.0000000 1.0000000
****
Li 0
S 5 1.00
266.27785516 0.64920150325E-02
40.069783447 0.47747863215E-01
9.0559944389 0.20268796111
2.4503009051 0.48606574817
0.72209571855 0.43626977955
S 1 1.00
0.52810884721E-01 1.0000000
S 1 1.00
0.20960948798E-01 1.0000000
P 2 1.00
1.4500000 0.2586000
0.3000000 1.0000000
P 1 1.00
0.0820000 1.0000000
****
Be 0
S 5 1.00
515.18616125 0.55615307983E-02
77.511037595 0.41190068062E-01
17.552481693 0.17913378108
4.8028940596 0.44736716455
1.4516214316 0.42009581920
S 1 1.00
0.13281633620 1.0000000
S 1 1.00
0.45837372213E-01 1.0000000
P 3 1.00
3.6316917145 -0.29033998305E-01
0.71695694366 -0.16877854032
0.19541932860 -0.51403419628
P 1 1.00
0.60515465890E-01 1.0000000
****
B 0
S 5 1.00
839.31830086 -0.55929201074E-02
126.26464843 -0.41565520771E-01
28.620600763 -0.18299816983
7.8793722710 -0.46540391866
2.4088857172 -0.44173884791
S 1 1.00
0.25105109036 1.0000000
S 1 1.00
0.83648866069E-01 1.0000000
P 3 1.00
6.0332223619 -0.35603672456E-01
1.2499157866 -0.19895775769
0.33871676350 -0.50850202618
P 1 1.00
0.96415632351E-01 1.0000000
D 1 1.00
0.5000000 1.0000000
****
C 0
S 5 1.00
1238.4016938 0.54568832082E-02
186.29004992 0.40638409211E-01
42.251176346 0.18025593888
11.676557932 0.46315121755
3.5930506482 0.44087173314
S 1 1.00
0.40245147363 1.0000000
S 1 1.00
0.13090182668 1.0000000
P 3 1.00
9.4680970621 0.38387871728E-01
2.0103545142 0.21117025112
0.54771004707 0.51328172114
P 1 1.00
0.15268613795 1.0000000
D 1 1.00
0.8000000 1.0000000
****
N 0
S 5 1.00
1712.8415853 -0.53934125305E-02
257.64812677 -0.40221581118E-01
58.458245853 -0.17931144990
16.198367905 -0.46376317823
5.0052600809 -0.44171422662
S 1 1.00
0.58731856571 1.0000000
S 1 1.00
0.18764592253 1.0000000
P 3 1.00
13.571470233 -0.40072398852E-01
2.9257372874 -0.21807045028
0.79927750754 -0.51294466049
P 1 1.00
0.21954348034 1.0000000
D 1 1.00
1.0000000 1.0000000
****
O 0
S 5 1.00
2266.1767785 -0.53431809926E-02
340.87010191 -0.39890039230E-01
77.363135167 -0.17853911985
21.479644940 -0.46427684959
6.6589433124 -0.44309745172
S 1 1.00
0.80975975668 1.0000000
S 1 1.00
0.25530772234 1.0000000
P 3 1.00
17.721504317 0.43394573193E-01
3.8635505440 0.23094120765
1.0480920883 0.51375311064
P 1 1.00
0.27641544411 1.0000000
D 1 1.00
1.2000000 1.0000000
****
F 0
S 5 1.00
2894.8325990 -0.53408255515E-02
435.41939120 -0.39904258866E-01
98.843328866 -0.17912768038
27.485198001 -0.46758090825
8.5405498171 -0.44653131020
S 1 1.00
1.0654578038 1.0000000
S 1 1.00
0.33247346748 1.0000000
P 3 1.00
22.696633924 -0.45212874436E-01
4.9872339257 -0.23754317067
1.3491613954 -0.51287353587
P 1 1.00
0.34829881977 1.0000000
D 1 1.00
1.4000000 1.0000000
****
Ne 0
S 5 1.00
3598.9736625 -0.53259297003E-02
541.32073112 -0.39817417969E-01
122.90450062 -0.17914358188
34.216617022 -0.46893582977
10.650584124 -0.44782537577
S 1 1.00
1.3545953960 1.0000000
S 1 1.00
0.41919362639 1.0000000
P 3 1.00
28.424053785 -0.46031944795E-01
6.2822510953 -0.23993183041
1.6978715079 -0.50871724964
P 1 1.00
0.43300700172 1.0000000
D 1 1.00
1.8880000 1.0000000
****
Na 0
S 5 1.00
4098.2003908 -0.58535911879E-02
616.49374031 -0.43647161872E-01
139.96644001 -0.19431465884
39.073441051 -0.48685065731
11.929847205 -0.41881705137
S 3 1.00
20.659966030 0.85949689854E-01
1.9838860978 -0.56359144041
0.64836323942 -0.51954009048
S 1 1.00
0.52443967404E-01 1.0000000
S 1 1.00
0.28048160742E-01 1.0000000
P 5 1.00
75.401862017 0.154353625324E-01
17.274818978 0.997382931840E-01
5.1842347425 0.312095939659
1.6601211973 0.492956748074
0.51232528958 0.324203983180
P 1 1.00
0.0520000 1.0000000
D 1 1.00
0.1310000 1.0000000
****
Mg 0
S 5 1.00
4953.8339196 -0.57778967498E-02
745.18044154 -0.43124761082E-01
169.21604972 -0.19268216987
47.300672019 -0.48641439116
14.461336973 -0.42550894077
S 3 1.00
24.768174789 0.87956969984E-01
2.4940945349 -0.55165058128
0.87807584533 -0.53443294833
S 1 1.00
0.87212782497E-01 1.0000000
S 1 1.00
0.33599293780E-01 1.0000000
P 5 1.00
98.053010494 -0.14480564601E-01
22.586932277 -0.95495750787E-01
6.8391509842 -0.30787672651
2.2332843818 -0.49936292886
0.71606599387 -0.31503476213
P 1 1.00
0.18914796195 1.0000000
P 1 1.00
0.53768755187E-01 1.0000000
D 1 1.00
0.1010000 1.0000000
****
Al 0
S 5 1.00
5887.5727030 0.13483347987E-02
885.61225996 0.10071576809E-01
201.13604899 0.45132454056E-01
56.284974674 0.11461268043
17.229551243 0.10159608943
S 3 1.00
29.340249922 0.69347454208E-01
3.0439630420 -0.42528117679
1.1285539518 -0.41449832210
S 1 1.00
0.14234175160 1.0000000
S 1 1.00
0.54400192313E-01 1.0000000
P 5 1.00
145.11918809 0.63963373134E-02
33.717894833 0.44189359965E-01
10.369863083 0.15581575993
3.5135616036 0.28635286951
1.1980050273 0.22921423248
P 1 1.00
0.26583005913 1.0000000
P 1 1.00
0.71003361994E-01 1.0000000
D 1 1.00
0.3000000 1.0000000
****
Si 0
S 5 1.00
6903.7118686 0.13373962995E-02
1038.4346419 0.99966546241E-02
235.87581480 0.44910165101E-01
66.069385169 0.11463638540
20.247945761 0.10280063858
S 3 1.00
34.353481730 0.70837285010E-01
3.6370788192 -0.43028836252
1.4002048599 -0.41382774969
S 1 1.00
0.20484414805 1.0000000
S 1 1.00
0.77994095468E-01 1.0000000
P 5 1.00
179.83907373 0.61916656462E-02
41.907258846 0.43399431982E-01
12.955294367 0.15632019351
4.4383267393 0.29419996982
1.5462247904 0.23536823814
P 1 1.00
0.35607612302 1.0000000
P 1 1.00
0.10008513762 1.0000000
D 1 1.00
0.3500000 1.0000000
****
P 0
S 5 1.00
8002.4795106 0.57503489302E-02
1203.6813590 0.43007628959E-01
273.44227031 0.19363986252
76.655541517 0.49651693399
23.516927435 0.44983262479
S 3 1.00
39.791683439 0.95188129789E-01
4.2770343323 -0.57649840368
1.6940256888 -0.54239583865
S 1 1.00
0.27567674644 1.0000000
S 1 1.00
0.10495590099 1.0000000
P 5 1.00
219.50755823 0.92100565257E-02
51.274155030 0.65409765745E-01
15.921595892 0.24033730279
5.5069913481 0.46318321788
1.9537719426 0.37392563382
P 1 1.00
0.47803397932 1.0000000
P 1 1.00
0.13657952621 1.0000000
D 1 1.00
0.4500000 1.0000000
****
S 0
S 5 1.00
9184.9303010 -0.22294387756E-02
1381.5105503 -0.16683029937E-01
313.87147580 -0.75262436116E-01
88.053870623 -0.19376827038
27.039914905 -0.17718020803
S 3 1.00
45.648731303 -0.10736062573
4.9664522326 0.65066293018
2.0116242047 0.59712155354
S 1 1.00
0.35661077013 1.0000000
S 1 1.00
0.13507221477 1.0000000
P 5 1.00
261.98233439 -0.92729929822E-02
61.306894736 -0.66547669241E-01
19.103729887 -0.24828595903
6.6567720378 -0.48703847402
2.3959635161 -0.39337850312
P 1 1.00
0.61776161679 1.0000000
P 1 1.00
0.16993376871 1.0000000
D 1 1.00
0.5500000 1.0000000
****
Cl 0
S 5 1.00
10449.8275660 0.19708362484E-02
1571.7365221 0.14754727977E-01
357.12065523 0.66679112875E-01
100.25185935 0.17228924084
30.812727554 0.15883786100
S 3 1.00
51.923789434 -0.10009298909
5.7045760975 0.60841752753
2.3508376809 0.54352153355
S 1 1.00
0.44605124672 1.0000000
S 1 1.00
0.16848856190 1.0000000
P 5 1.00
307.66790569 -0.87801484118E-02
72.102015515 -0.63563355471E-01
22.532680262 -0.24016428276
7.8991765444 -0.47798866557
2.8767268321 -0.38515850005
P 1 1.00
0.77459363955 1.0000000
P 1 1.00
0.21037699698 1.0000000
D 1 1.00
0.6500000 1.0000000
****
Ar 0
S 5 1.00
11797.1197650 0.20214479973E-02
1774.3522753 0.15139852688E-01
403.18875733 0.68525400873E-01
113.24933999 0.17762929207
34.835298193 0.16496495001
S 3 1.00
58.614775042 -0.10343394000
6.4922045078 0.63133365899
2.7117014403 0.54887572301
S 1 1.00
0.54412974538 1.0000000
S 1 1.00
0.20517411136 1.0000000
P 5 1.00
356.28707256 -0.87321783271E-02
83.593132866 -0.63680317444E-01
26.186704029 -0.24311906886
9.2257275925 -0.48956069653
3.3922754954 -0.39229190040
P 1 1.00
0.94740534010 1.0000000
P 1 1.00
0.25659135062 1.0000000
D 1 1.00
0.6960000 1.0000000
****
K 0
S 6 1.00
31478.7467640 0.39838653994E-02
4726.8876066 0.30501759762E-01
1075.4345353 0.15073752622
303.39811023 0.51912939801
98.327112831 1.0366957005
33.636222177 0.76398963199
S 3 1.00
65.639209962 -0.28242617106
7.3162592218 1.6914935860
2.8902580135 1.2965331953
S 3 1.00
4.5459748965 -0.76343555273E-02
0.70404124062 0.25635718960E-01
0.28266888959 0.16606859208E-01
S 1 1.00
0.29058164020E-01 1.0000000
S 1 1.00
0.12111638157E-01 1.0000000
P 5 1.00
361.22492154 0.20906479823E-01
84.670222166 0.15043641740
26.469088236 0.55440061077
9.2658077615 1.0409009991
3.3423388293 0.67825341194
P 3 1.00
1.5100876104 0.75248191146
0.56568375163 1.3708585031
0.20817008495 0.66047633079
P 1 1.00
0.0417370 1.0000000
D 1 1.00
0.3530000 1.0000000
D 1 1.00
0.0980000 1.0000000
****
Ca 0
S 6 1.00
35138.7139290 0.39482520740E-02
5276.4111348 0.30234243552E-01
1200.4692589 0.14952019681
338.71810542 0.51597345713
109.85385922 1.0339510296
37.608880299 0.76937933526
S 3 1.00
73.107977555 -0.28268525011
8.2407705688 1.6796092142
3.2959812993 1.2803766016
S 3 1.00
5.2341800914 -0.76868604561E-02
0.84187220515 0.25382375978E-01
0.36510294029 0.16512171511E-01
S 1 1.00
0.51222402884E-01 1.0000000
S 1 1.00
0.19825111408E-01 1.0000000
P 5 1.00
413.11313893 0.20327135354E-01
96.935786224 0.14730276362
30.372154659 0.54887167322
10.684776830 1.0440659818
3.8821258350 0.68653490684
P 3 1.00
1.7993016295 0.75410246871
0.69189056530 1.3409296599
0.26364024096 0.56391989435
P 1 1.00
0.0749790 1.0000000
D 3 1.00
5.4979093879 0.73770011433E-01
1.3177128032 0.26052853169
0.32188682649 0.45233836380
D 1 1.00
0.70528614919E-01 1.0000000
****
Sc 0
S 6 1.00
38956.0818040 0.39293205858E-02
5849.5733637 0.30093221229E-01
1330.8813154 0.14890370950
375.55534165 0.51464282906
121.87261370 1.0337708070
41.760243729 0.77436851627
S 3 1.00
81.060633953 -0.28318552316
9.2059823972 1.6770806984
3.7063215732 1.2594733678
S 3 1.00
5.9888909988 -0.77821367493E-02
0.97363432378 0.25499692745E-01
0.42041019223 0.16191560820E-01
S 1 1.00
0.59440551913E-01 1.0000000
S 1 1.00
0.22897806303E-01 1.0000000
P 5 1.00
466.31481262 0.19984300385E-01
109.51217097 0.14561043072
34.375921827 0.54687466223
12.142096955 1.0479006012
4.4336767669 0.68894890327
P 3 1.00
2.0971291866 0.75619214724
0.80977606956 1.3178212235
0.30834046588 0.54312268173
P 1 1.00
0.0897480 1.0000000
D 4 1.00
19.240334928 0.27039082144E-01
5.1178995899 0.13803684743
1.6554278827 0.34869086403
0.54016355610 0.48594185717
D 1 1.00
0.16211214518 1.0000000
F 1 1.00
0.3450000 1.0000000
****
Ti 0
S 6 1.00
42961.5121850 0.39127635355E-02
6450.9759169 0.29969820489E-01
1467.7210915 0.14836352707
414.20997355 0.51347285324
134.48715840 1.0335365483
46.122209796 0.77854233930
S 3 1.00
89.447762543 -0.28385401259
10.223346060 1.6772785333
4.1353774271 1.2411928456
S 3 1.00
6.7896181452 -0.78399994518E-02
1.1106730691 0.25495493019E-01
0.47565975578 0.16061172892E-01
S 1 1.00
0.65986956934E-01 1.0000000
S 1 1.00
0.25210342250E-01 1.0000000
P 5 1.00
522.03684782 0.19754179642E-01
122.68649489 0.14460677619
38.572903611 0.54669004165
13.672169319 1.0531647540
5.0118529359 0.69111213363
P 3 1.00
2.4131928282 0.75803437136
0.93252270050 1.3036241399
0.35429058390 0.53638653300
P 1 1.00
0.1015610 1.0000000
D 4 1.00
23.465125957 0.26536380115E-01
6.3332593832 0.13796453963
2.0766489946 0.35312644228
0.69027361954 0.48647124166
D 1 1.00
0.21088738554 1.0000000
F 1 1.00
0.5620000 1.0000000
****
V 0
S 6 1.00
47160.3760600 0.14498688908E-02
7081.4110871 0.11106435251E-01
1611.1621223 0.55005423585E-01
454.72940551 0.19060252591
147.71321208 0.38435022957
50.699538950 0.29095546792
S 3 1.00
98.262492669 -0.10942337856
11.294293099 0.64539490399
4.5853360105 0.47117880777
S 3 1.00
7.6359689588 -0.22454949054
1.2539836689 0.72594852764
0.53271935387 0.45560582748
S 1 1.00
0.72246239566E-01 1.0000000
S 1 1.00
0.27358087448E-01 1.0000000
P 5 1.00
580.55044988 0.97315110917E-02
136.52341127 0.71531241137E-01
42.983958820 0.27197688414
15.282798763 0.52618988893
5.6202495154 0.34452533498
P 3 1.00
2.7485386415 0.34040396496
1.0618550073 0.57983996120
0.40235518645 0.23911643083
P 1 1.00
0.1112480 1.0000000
D 4 1.00
27.358434017 0.26641927050E-01
7.4540604253 0.13995311726
2.4633917847 0.35751066639
0.82480925277 0.48488354148
D 1 1.00
0.25257904742 1.0000000
F 1 1.00
0.8310000 1.0000000
****
Cr 0
S 6 1.00
51528.0863490 0.14405823106E-02
7737.2103487 0.11036202287E-01
1760.3748470 0.54676651806E-01
496.87706544 0.18965038103
161.46520598 0.38295412850
55.466352268 0.29090050668
S 3 1.00
107.54732999 -0.10932281100
12.408671897 0.64472599471
5.0423628826 0.46262712560
S 3 1.00
8.5461640165 -0.22711013286
1.3900441221 0.73301527591
0.56066602876 0.44225565433
S 1 1.00
0.71483705972E-01 1.0000000
S 1 1.00
0.28250687604E-01 1.0000000
P 5 1.00
640.48536096 0.96126715203E-02
150.69711194 0.70889834655E-01
47.503755296 0.27065258990
16.934120165 0.52437343414
6.2409680590 0.34107994714
P 3 1.00
3.0885463206 0.33973986903
1.1791047769 0.57272062927
0.43369774432 0.24582728206
P 1 1.00
0.1206750 1.0000000
D 4 1.00
27.559479426 0.30612488044D-01
7.4687020327 0.15593270944
2.4345903574 0.36984421276
0.78244754808 0.47071118077
D 1 1.00
0.21995774311 1.0000000
F 1 1.00
1.1470000 1.0000000
****
Mn 0
S 6 1.00
56137.0090370 0.14321304702E-02
8429.2063943 0.10972509162E-01
1917.8277233 0.54382468712E-01
541.36230198 0.18884335129
176.00069142 0.38198025054
60.500477010 0.29156772596
S 3 1.00
117.17282882 -0.10933661328
13.596973368 0.64305039431
5.5483996341 0.45848970584
S 3 1.00
9.4662853530 -0.22538977259
1.5595006070 0.72307758657
0.65230205868 0.45300721536
S 1 1.00
0.84003734475E-01 1.0000000
S 1 1.00
0.31256098581E-01 1.0000000
P 5 1.00
706.00497535 0.95055518167E-02
166.19728820 0.70356271142E-01
52.452061906 0.27005556982
18.746932862 0.52574344602
6.9282991622 0.34254033223
P 3 1.00
3.4772204938 0.33994073736
1.3406906449 0.57203836254
0.50498803038 0.23847605831
P 1 1.00
0.1276500 1.0000000
D 4 1.00
35.423264935 0.26985304111E-01
9.7814221451 0.14383458648
3.2673488767 0.36418958377
1.1026472189 0.48152670661
D 1 1.00
0.33743205934 1.0000000
F 1 1.00
1.3260000 1.0000000
****
Fe 0
S 6 1.00
60923.6406430 0.14302254466E-02
9147.8893982 0.10958790038E-01
2081.3505927 0.54332554248E-01
587.55977067 0.18884995009
191.09043990 0.38253069946
65.732730112 0.29308335984
S 3 1.00
127.25891928 -0.10964564925
14.830913010 0.64387631332
6.0653307408 0.45472347323
S 3 1.00
10.449943710 -0.22539639952
1.7245228003 0.72164398156
0.71772177325 0.44985492922
S 1 1.00
0.91449828308E-01 1.0000000
S 1 1.00
0.33706691021E-01 1.0000000
P 5 1.00
773.43750995 0.94325735144E-02
182.15149714 0.70029620575E-01
57.547272758 0.26993651996
20.614988935 0.52700011047
7.6348557890 0.34284148028
P 3 1.00
3.8719327990 0.33974402988
1.4924724132 0.56842594005
0.56061284958 0.23649365839
P 1 1.00
0.1349150 1.0000000
D 4 1.00
38.968133419 0.27879664382E-01
10.800067078 0.14858319982
3.6136457999 0.36905479496
1.2129967888 0.47745100883
D 1 1.00
0.36524393170 1.0000000
F 1 1.00
1.5980000 1.0000000
****
Co 0
S 6 1.00
65902.2082570 0.14284614936E-02
9895.3896027 0.10946072783E-01
2251.4305789 0.54285953890E-01
635.61097084 0.18885179079
206.78820681 0.38301634994
71.179242971 0.29443551266
S 3 1.00
137.77268040 -0.10990221736
16.118079243 0.64455537395
6.6030327710 0.45116787924
S 3 1.00
11.479915788 -0.22593846910
1.8956426324 0.72231409008
0.78466232067 0.44903812296
S 1 1.00
0.98425774432E-01 1.0000000
S 1 1.00
0.35945741932E-01 1.0000000
P 5 1.00
843.64358575 0.93866097254E-02
198.76386994 0.69880208716E-01
62.854963098 0.27037070345
22.562842280 0.52904786880
8.3713209127 0.34357029579
P 3 1.00
4.2858719800 0.34027999036
1.6508041817 0.56693392384
0.61834231096 0.23617979783
P 1 1.00
0.1413080 1.0000000
D 4 1.00
42.927867612 0.28487788365E-01
11.942533053 0.15206951283
4.0046495664 0.37310913999
1.3413193804 0.47549837676
D 1 1.00
0.40015009743 1.0000000
F 1 1.00
1.9030000 1.0000000
****
Ni 0
S 6 1.00
71074.8032110 0.14260386729E-02
10672.0209410 0.10928236994E-01
2428.1389007 0.54212626938E-01
685.53595148 0.18874768902
223.10072863 0.38324616985
76.842014042 0.29550637144
S 3 1.00
148.71122016 -0.11014443059
17.459154987 0.64521426988
7.1625280665 0.44797838103
S 3 1.00
12.556137125 -0.22645403224
2.0735740488 0.72320959286
0.85382640602 0.44868026476
S 1 1.00
0.10536766271 1.0000000
S 1 1.00
0.38134087688E-01 1.0000000
P 5 1.00
916.73608662 0.93439635610E-02
216.06139913 0.69737374902E-01
68.383914817 0.27073495012
24.593843952 0.53078301549
9.1392960204 0.34410229438
P 3 1.00
4.7193371746 0.34076082016
1.8161849234 0.56580169611
0.67840750720 0.23616717361
P 1 1.00
0.1465880 1.0000000
D 4 1.00
47.093832108 0.28982316948E-01
13.146463975 0.15494995950
4.4170548925 0.37633115111
1.4771565078 0.47365096014
D 1 1.00
0.43735921792 1.0000000
F 1 1.00
2.1740000 1.0000000
****
Cu 0
S 6 1.00
76381.3480560 0.14336079896E-02
11468.7774990 0.10986749865E-01
2609.4246495 0.54513652465E-01
736.75033098 0.18990128258
239.82419958 0.38581959211
82.656829252 0.29790607498
S 3 1.00
160.13544196 -0.11146778567
18.834177695 0.65349301031
7.7176595741 0.44770534421
S 3 1.00
13.710846717 -0.22870911122
2.2349895670 0.73464423031
0.87818360069 0.43273070874
S 1 1.00
0.87187458064E-01 1.0000000
S 1 1.00
0.32969114665E-01 1.0000000
P 5 1.00
991.24075782 0.93878498798E-02
233.69376116 0.70208282458E-01
74.020930927 0.27323522220
26.664967447 0.53580792728
9.9192087478 0.34575794906
P 3 1.00
5.1519553926 0.34229108083
1.9638205828 0.56456592484
0.71560097037 0.24078584318
P 1 1.00
0.1550650 1.0000000
D 4 1.00
47.335049590 0.32375547758E-01
13.161666077 0.16810218684
4.3693777244 0.38477707982
1.4132925109 0.46147880178
D 1 1.00
0.38878001452 1.0000000
F 1 1.00
2.2330000 1.0000000
****
Zn 0
S 6 1.00
82000.7116290 0.14210764000E-02
12312.4717770 0.10891499487E-01
2801.3944193 0.54057188059E-01
790.99424302 0.18847463904
257.56551079 0.38346549346
88.814933400 0.29723794197
S 3 1.00
171.86353716 -0.11051849523
20.302534785 0.64607716984
8.3464123068 0.44220117322
S 3 1.00
14.847536940 -0.22705309278
2.4495029507 0.72433217935
0.99845821824 0.44836495592
S 1 1.00
0.11891307937 1.0000000
S 1 1.00
0.42297428760E-01 1.0000000
P 5 1.00
1071.5185372 0.92767797235E-02
252.69712152 0.69541149434E-01
80.100829126 0.27156772564
28.903393172 0.53401355573
10.768899879 0.34501323446
P 3 1.00
5.6446212530 0.34129600164
2.1678291347 0.56390521973
0.80540898341 0.23676109735
P 1 1.00
0.1624550 1.0000000
D 4 1.00
56.088939191 0.29588869140E-01
15.751908917 0.158725714045
5.3115812367 0.379762291591
1.7737904917 0.468989591719
D 1 1.00
0.51975583665 1.0000000
F 1 1.00
2.6140000 1.0000000
****
Ga 0
S 6 1.00
87842.1262960 0.14271588798E-02
13189.4964020 0.10938894097E-01
3000.9482141 0.54308200127E-01
847.38425966 0.18951055983
276.00980642 0.38615185918
95.216672071 0.30051082719
S 3 1.00
184.00703968 -0.11124461963
21.827051433 0.64831322918
9.0026963761 0.44358383594
S 3 1.00
16.033176938 -0.23014299555
2.6707724878 0.72946861516
1.1252834170 0.46214976951
S 1 1.00
0.15967608829 1.0000000
S 1 1.00
0.57643044753E-01 1.0000000
P 5 1.00
1167.2665844 0.90974021307E-02
275.38062789 0.68456273343E-01
87.375073070 0.26922293888
31.597254670 0.53507897882
11.824122798 0.35279062760
P 3 1.00
6.2881845133 0.33938244530
2.5199853240 0.56871947608
1.0169726306 0.27717694939
P 1 1.00
0.24748373604 1.0000000
P 1 1.00
0.66685294163E-01 1.0000000
D 4 1.00
65.354237674 0.27370146382E-01
18.504656747 0.15099463976
6.3179620632 0.37485328545
2.1641389426 0.47510606851
D 1 1.00
0.66693092754 1.0000000
D 1 1.00
0.2070000 1.0000000
****
Ge 0
S 6 1.00
93889.8366420 0.14233976060E-02
14097.4975280 0.10910795654E-01
3207.5477309 0.54183705943E-01
905.76727269 0.18922820349
295.11014693 0.38612847001
101.84713141 0.30164050736
S 3 1.00
196.56719662 -0.11118770940
23.405292522 0.64616007369
9.6839116702 0.44188904568
S 3 1.00
17.269736544 -0.23027421375
2.8964622160 0.73017169398
1.2553621412 0.46197222255
S 1 1.00
0.20213081492 1.0000000
S 1 1.00
0.73867910982E-01 1.0000000
P 5 1.00
1259.2085995 0.90115464252E-02
297.15626382 0.67986841689E-01
94.353387522 0.26853856488
34.176329677 0.53659649219
12.816139615 0.35633514961
P 3 1.00
6.8471029784 0.33900693119
2.7717363939 0.56809365264
1.1458418175 0.27246539884
P 1 1.00
0.30679631536 1.0000000
P 1 1.00
0.89283644115E-01 1.0000000
D 4 1.00
74.782168177 0.25755860205E-01
21.310849759 0.14536816132
7.3464792363 0.37134209859
2.5656271395 0.48002998436
D 1 1.00
0.81981773070 1.0000000
D 1 1.00
0.2460000 1.0000000
****
As 0
S 6 1.00
100146.5255400 0.14258349617E-02
15036.8617110 0.10930176963E-01
3421.2902833 0.54294174610E-01
966.16965717 0.18976078153
314.87394026 0.38775195453
108.70823790 0.30402812040
S 3 1.00
209.54238950 -0.11162094204
25.038221139 0.64697607762
10.390964343 0.44223608673
S 3 1.00
18.555090093 -0.22994190569
3.1281217449 0.73319107613
1.3884885073 0.45533653943
S 1 1.00
0.24714362141 1.0000000
S 1 1.00
0.91429428670E-01 1.0000000
P 5 1.00
1355.6443507 0.89182507898E-02
319.99929270 0.67454750717E-01
101.67734092 0.26759772110
36.886323845 0.53776844520
13.861115909 0.35992570244
P 3 1.00
7.4260666912 0.34036849637
3.0316247187 0.57030149334
1.2783078340 0.26606170238
P 1 1.00
0.37568503356 1.0000000
P 1 1.00
0.11394805454 1.0000000
D 4 1.00
84.445514539 0.24518402724E-01
24.190416102 0.14107454677
8.4045015119 0.36875228915
2.9808970748 0.48409561362
D 1 1.00
0.97909243359 1.0000000
D 1 1.00
0.2930000 1.0000000
****
Se 0
S 6 1.00
106612.2002700 0.14274889113E-02
16007.6047010 0.10943525114E-01
3642.1699707 0.54374171596E-01
1028.5912993 0.19018092947
335.30298888 0.38913021696
115.80129154 0.30620207088
S 3 1.00
222.93325020 -0.11198808009
26.726257934 0.64752124207
11.124501923 0.44241976651
S 3 1.00
19.888520061 -0.22857227762
3.3668473803 0.73591359951
1.5249277839 0.44330199577
S 1 1.00
0.29630037912 1.0000000
S 1 1.00
0.11009288974 1.0000000
P 5 1.00
1455.9068120 0.88203597043E-02
343.75101831 0.66875851967E-01
109.29554964 0.26640578080
39.707711022 0.53834928422
14.950185232 0.36303281993
P 3 1.00
8.0208962094 0.34153807025
3.2934649756 0.57257906583
1.4058602438 0.25549813222
P 1 1.00
0.45076123226 1.0000000
P 1 1.00
0.13353413325 1.0000000
D 4 1.00
94.494024044 0.23490101098D-01
27.188185260 0.13747735767D+00
9.5091567352 0.36649929124D+00
3.4170516853 0.48750989884D+00
D 1 1.00
1.1479590083 1.0000000
D 1 1.00
0.3380000 1.0000000
****
Br 0
S 6 1.00
113286.3877600 0.14283037779E-02
17009.6263030 0.10950417496E-01
3870.1842567 0.54421006604E-01
1093.0357227 0.19047907695
356.39721797 0.39024642737
123.12539643 0.30814432514
S 3 1.00
236.74084007 -0.11228065671
28.468661070 0.64775962312
11.883443722 0.44235575986
S 3 1.00
21.269633312 -0.22642576323
3.6129226841 0.73823712008
1.6626648969 0.42683868694
S 1 1.00
0.34823793232 1.0000000
S 1 1.00
0.13019031394 1.0000000
P 5 1.00
1560.2801881 0.87166669072E-02
368.47859205 0.66243637420E-01
117.22978849 0.26495610385
42.648909248 0.53839160587
16.087225096 0.36579387888
P 3 1.00
8.6352810058 0.34248787366
3.5613665502 0.57500678213
1.5292626609 0.24330394172
P 1 1.00
0.53064294848 1.0000000
P 1 1.00
0.15702758965 1.0000000
D 4 1.00
104.85518642 0.22650147581D-01
30.281143688 0.13455483230
10.651394267 0.36474454537
3.8699456233 0.49044587056
D 1 1.00
1.3240876762 1.0000000
D 1 1.00
0.3890000 1.0000000
****
Kr 0
S 6 1.00
120165.6487500 0.14294234496E-02
18042.5001690 0.10959597020E-01
4105.1800388 0.54479647470E-01
1159.4447248 0.19081239122
378.13810346 0.39140445949
130.67610045 0.31007346689
S 3 1.00
250.96373353 -0.11258604011
30.265930380 0.64816322524
12.668110757 0.44240238994
S 3 1.00
22.697940101 -0.22391964908
3.8673017398 0.74060953026
1.8013706671 0.40803658445
S 1 1.00
0.40308639136 1.0000000
S 1 1.00
0.15170527749 1.0000000
P 5 1.00
1668.5736623 0.86215009803E-02
394.13862798 0.65665506884E-01
125.46644854 0.26366576697
45.704992729 0.53867658574
17.270133229 0.36865167502
P 3 1.00
9.2699487770 0.34346189015
3.8364617719 0.57784776196
1.6467163312 0.23075615197
P 1 1.00
0.61479686489 1.0000000
P 1 1.00
0.18319467414 1.0000000
D 4 1.00
115.55868603 0.21945485333D-01
33.477985864 0.13211212879
11.834450207 0.36333306964
4.3408254894 0.49300484446
D 1 1.00
1.5079273157 1.0000000
D 1 1.00
0.4430000 1.0000000
****
|