Z=3 Li [1s2 2s1] 2S Fitted 5-term 1S GTO first order density basis set (Li-Kr)
Z=3 Li [1s2 2s1] 2S
|
|
|
|
0.3490609440 |
0.0476562753 |
|
0.3127681056 |
1.1691514757 |
|
0.2931771905 |
3.8846220921 |
|
0.0368245131 |
16.1864053335 |
|
0.0081692467 |
33.2703550747 |
Z=4 Be [1s2 2s2] 1S
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|
|
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0.5235986843 |
0.1037059868 |
|
0.2329487914 |
2.4848494654 |
|
0.2097950050 |
7.5964332029 |
|
0.0235938921 |
27.2373284339 |
|
0.0100636272 |
56.1568403181 |
Z=5 B [1s2 2s2 2p1] 2P
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|
|
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0.2749754148 |
0.1026601476 |
|
0.3541370837 |
0.2494698867 |
|
0.2106755392 |
4.7384826443 |
|
0.1424847560 |
14.5129519209 |
|
0.0177272063 |
71.8073072845 |
Z=6 C [1s2 2s2 2p2] 3P
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|
|
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0.5079501021 |
0.2065113939 |
|
0.1888265284 |
0.5553428097 |
|
0.1765106174 |
7.3531983076 |
|
0.1125973447 |
22.0875917625 |
|
0.0141154074 |
107.3463850250 |
Z=7 N [1s2 2s2 2p3] 4S
|
|
|
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0.4828758225 |
0.2724754402 |
|
0.2585058909 |
0.7331198281 |
|
0.1487769439 |
10.0967288197 |
|
0.0980039016 |
30.4879662698 |
|
0.0118374411 |
149.7883228400 |
Z=8 O [1s2 2s2 2p4] 3P
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|
|
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0.4879327014 |
0.3478029761 |
|
0.2864411805 |
0.9885493491 |
|
0.1257295709 |
13.0164393783 |
|
0.0893238523 |
39.3558242200 |
|
0.0105726949 |
195.5312351290 |
Z=9 F [1s2 2s2 2p5] 2P
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|
|
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0.4420008196 |
0.4037612416 |
|
0.3572319438 |
1.1906376458 |
|
0.1107742675 |
16.2798176665 |
|
0.0807137020 |
50.1098027606 |
|
0.0092792670 |
251.0034009220 |
Z=10 Ne [1s2 2s2 2p6] 1S
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|
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0.3823006753 |
0.4481686876 |
|
0.4332628742 |
1.3654026618 |
|
0.0913175288 |
17.5880471740 |
|
0.0837938762 |
56.9544784321 |
|
0.0093250454 |
295.2825324460 |
Z=11 Na [1s2 2s2 2p6 3s1] 2S
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|
|
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0.3157622450 |
0.3480133540 |
|
0.5171500279 |
1.6049349499 |
|
0.0814355945 |
21.8041545764 |
|
0.0761808058 |
67.3712913486 |
|
0.0094713268 |
334.7651068690 |
Z=12 Mg [1s2 2s2 2p6 3s2] 1S
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0.2751029545 |
0.1831301610 |
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0.5706801458 |
1.8642234889 |
|
0.0750848772 |
25.6422209192 |
|
0.0704257624 |
80.6730706608 |
|
0.0087062601 |
400.4799626820 |
Z=13 Al [1s2 2s2 2p6 3s2 3p1] 2P
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|
|
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0.3060175510 |
0.1465461625 |
|
0.5493945849 |
2.2617410748 |
|
0.0629883398 |
26.5680454264 |
|
0.0727336844 |
88.2509854337 |
|
0.0088658398 |
450.7622056200 |
Z=14 Si [1s2 2s2 2p6 3s2 3p2] 3P
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|
|
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0.3585352030 |
0.1696170280 |
|
0.5131431225 |
2.8739975420 |
|
0.0701152749 |
40.9701363656 |
|
0.0516058745 |
122.9244356100 |
|
0.0066005250 |
583.6385907660 |
Z=15 P [1s2 2s2 2p6 3s2 3p3] 4S
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|
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0.3946238457 |
0.1883959362 |
|
0.4829776908 |
3.4147963878 |
|
0.0549429701 |
38.7892728566 |
|
0.0600627101 |
122.5256232050 |
|
0.0073927833 |
617.5945826720 |
Z=16 S [1s2 2s2 2p6 3s2 3p4] 3P
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0.4329883784 |
0.2221021171 |
|
0.4535791418 |
4.1064396551 |
|
0.0517119793 |
46.0626200218 |
|
0.0549095788 |
142.1907366730 |
|
0.0068109217 |
711.4034370860 |
Z=17 Cl [1s2 2s2 2p6 3s2 3p5] 2P
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0.4678032323 |
0.2622406394 |
|
0.4267424562 |
4.8834523551 |
|
0.0493672952 |
54.6906001859 |
|
0.0498497683 |
164.8373011380 |
|
0.0062372480 |
816.7568635800 |
Z=18 Ar [1s2 2s2 2p6 3s2 3p6] 1S
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0.4990460645 |
0.3075332744 |
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0.4023876244 |
5.7410794961 |
|
0.0468434257 |
63.5527454395 |
|
0.0459293214 |
188.1646713470 |
|
0.0057935641 |
925.9926093540 |
Z=19 K [1s2 2s2 2p6 3s2 3p6 4s1] 2S
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0.5236611129 |
0.3455040520 |
|
0.3817830955 |
6.5615356709 |
|
0.0453643844 |
68.8843570720 |
|
0.0436440149 |
209.4208530860 |
|
0.0055473923 |
1028.3685003900 |
Z=20 Ca [1s2 2s2 2p6 3s2 3p6 4s2] 1S
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0.5475229526 |
0.3893098063 |
|
0.3631312248 |
7.5238091629 |
|
0.0430977746 |
77.6689762760 |
|
0.0410084654 |
234.2806958380 |
|
0.0052395826 |
1145.8213911900 |
Z=21 Sc [1s2 2s2 2p6 3s2 3p6 4s2 3d1] 2D
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0.5697777936 |
0.4396178419 |
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0.3453902905 |
8.5246388158 |
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0.0409218690 |
86.2888993129 |
|
0.0389277887 |
259.4462928300 |
|
0.0049822583 |
1267.3022518300 |
Z=22 Ti [1s2 2s2 2p6 3s2 3p6 4s2 3d2] 3F
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0.5906891646 |
0.4983588273 |
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0.3289888037 |
9.6129824105 |
|
0.0404242520 |
99.4160553415 |
|
0.0353359797 |
295.0554720590 |
|
0.0045618000 |
1421.9387715100 |
Z=23 V [1s2 2s2 2p6 3s2 3p6 4s2 3d3] 4F
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0.6092191284 |
0.5615165943 |
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0.3139862272 |
10.7152848634 |
|
0.0384057498 |
108.3411343670 |
|
0.0340113401 |
322.0729399120 |
|
0.0043775544 |
1555.3898074100 |
Z=24 Cr [1s2 2s2 2p6 3s2 3p6 4s2 3d4] 5D
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0.6263006953 |
0.6299078952 |
|
0.3002286998 |
11.8780610946 |
|
0.0368220149 |
118.5563798860 |
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0.0324735092 |
351.8308722510 |
|
0.0041750807 |
1698.0266510600 |
Z=25 Mn [1s2 2s2 2p6 3s2 3p6 4s2 3d5] 6S
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0.7043840740 |
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0.2875618156 |
13.1061400984 |
|
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0.0358242709 |
130.7015658390 |
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0.0306249209 |
387.4753241830 |
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0.0039583418 |
1858.8486206000 |
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Z=26 Fe [1s2 2s2 2p6 3s2 3p6 4s2 3d6] 5D
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0.6563259144 |
0.7805506489 |
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0.2759574566 |
14.3690208847 |
|
0.0342536637 |
140.7680669970 |
|
0.0296403408 |
418.2103915750 |
|
0.0038226245 |
2009.7477790600 |
Z=27 Co [1s2 2s2 2p6 3s2 3p6 4s2 3d7] 4F
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0.6698880922 |
0.8632142882 |
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0.2652724501 |
15.7343075631 |
|
0.0340341355 |
157.7457285430 |
|
0.0272601152 |
465.5020242390 |
|
0.0035452070 |
2208.7666067300 |
Z=28 Ni [1s2 2s2 2p6 3s2 3p6 4s2 3d8] 3F
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0.6820949791 |
0.9493377699 |
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0.2553794790 |
17.1026399579 |
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0.0329687775 |
170.2402510930 |
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0.0261632956 |
503.5298947030 |
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0.0033934689 |
2387.7622365300 |
Z=29 Cu [1s2 2s2 2p6 3s2 3p6 4s2 3d9] 2D
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0.6938017144 |
1.0415026673 |
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0.2461533670 |
18.5816597340 |
|
0.0328517679 |
189.5515205280 |
|
0.0240434816 |
558.5223441660 |
|
0.0031496691 |
2610.9188657200 |
Z=30 Zn [1s2 2s2 2p6 3s2 3p6 4s2 3d10] 1S
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0.7037466751 |
1.1348758148 |
|
0.2375149620 |
19.9190036296 |
|
0.0301637818 |
189.3453645900 |
|
0.0253258267 |
566.9861695350 |
|
0.0032487543 |
2715.5602646900 |
Z=31 Ga [1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p1] 2P
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|
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0.7142741995 |
1.2362501614 |
|
0.2302130913 |
21.7319348573 |
|
0.0326875815 |
233.5768972080 |
|
0.0201285870 |
687.4112044980 |
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0.0026965406 |
3113.2399219100 |
Z=32 Ge [1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p2] 3P
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0.7238914245 |
1.3392389654 |
|
0.2233185780 |
23.5967956281 |
|
0.0341614641 |
275.0745759760 |
|
0.0163348540 |
819.3145134980 |
|
0.0022936795 |
3510.0454385600 |
Z=33 As [1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p3] 4S
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0.7306825145 |
1.4314081137 |
|
0.2140759681 |
24.9681967345 |
|
0.0267254020 |
200.9208076870 |
|
0.0253779203 |
651.0500082100 |
|
0.0031381951 |
3207.0463589200 |
Z=34 Se [1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p4] 3P
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0.7358567989 |
1.5191378012 |
|
0.2115462087 |
26.0693685435 |
|
0.0257219649 |
227.4788142010 |
|
0.0238696133 |
703.0505160770 |
|
0.0030054142 |
3428.4536264900 |
Z=35 Br [1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p5] 2P
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0.7415124119 |
1.6119851004 |
|
0.2075649551 |
27.8477532887 |
|
0.0248135872 |
241.9636060000 |
|
0.0231827227 |
745.3045286390 |
|
0.0029263231 |
3632.3626134500 |
Z=36 Kr [1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6] 1S
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|
|
|
0.7476774837 |
1.6815460232 |
|
0.2021921239 |
29.3362751662 |
|
0.0243507310 |
248.3689416300 |
|
0.0229137751 |
782.9737666340 |
|
0.0028658864 |
3833.1399466500 |
