mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-30 15:15:38 +01:00
5233 lines
164 KiB
Plaintext
5233 lines
164 KiB
Plaintext
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!----------------------------------------------------------------------
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! Basis Set Exchange
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! Version 2.1.0+44.g1191679.dirty
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! https://www.basissetexchange.org
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!----------------------------------------------------------------------
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! Basis set: def2-TZVPP
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! Description: def2-TZVPP
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! Role: orbital
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! Version: 1 (Data from Turbomole 7.3)
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!----------------------------------------------------------------------
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$DATA
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HYDROGEN
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S 3
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1 34.0613410 0.60251978E-02
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2 5.1235746 0.45021094E-01
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3 1.1646626 0.20189726
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S 1
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1 0.32723041 1.0000000
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S 1
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1 0.10307241 1.0000000
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P 1
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1 1.40700000 1.0000000
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P 1
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1 0.38800000 1.0000000
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D 1
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1 1.05700000 1.0000000
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HELIUM
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S 3
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1 98.078321616 0.75803064967E-02
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2 14.764404247 0.54848620937E-01
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3 3.3185831473 0.22074382186
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S 1
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1 0.87413869551 1.0000000
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S 1
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1 0.24459897208 1.0000000
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P 1
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1 3.04400000 1.0000000
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P 1
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1 0.75800000 1.0000000
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D 1
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1 1.96500000 1.0000000
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LITHIUM
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S 6
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1 6269.2628010 0.20540968826E-03
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2 940.31612431 0.15916554089E-02
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3 214.22107528 0.82869829707E-02
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4 60.759840184 0.33856374249E-01
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5 19.915152032 0.11103225876
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6 7.3171509797 0.27449383329
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S 2
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1 2.9724674216 0.23792456411
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2 1.2639852314 0.30765411924
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S 1
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1 0.51427489953 1.0000000
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S 1
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1 0.77030885901E-01 1.0000000
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|
S 1
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|
1 0.28938896433E-01 1.0000000
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|
P 1
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|
1 3.3270000 1.0000000
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|
P 1
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||
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|
1 0.4000000 1.0000000
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P 1
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|
1 0.0600000 1.0000000
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D 1
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1 0.1319000 1.0000000
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BERYLLIUM
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S 6
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1 4700.2365626 0.23584389316E-03
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2 704.82845622 0.18243791019E-02
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3 160.43110478 0.93966148224E-02
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4 45.425347336 0.36908924159E-01
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5 14.798334125 0.10897561281
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6 5.3512452537 0.21694284551
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S 2
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1 2.1542044819 0.44695408857
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2 0.93363744400 0.20866985771
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S 1
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1 0.18791432989 1.0000000
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S 1
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1 0.74648267947E-01 1.0000000
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S 1
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1 0.32650484598E-01 1.0000000
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P 2
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1 0.71695694366 -0.16877854032
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2 0.19541932860 -0.51403419628
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P 1
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1 3.6316917145 -.29033998305E-01
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P 1
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1 0.60515465890E-01 1.0000000
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D 1
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1 0.1800000 1.0000000
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BORON
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S 6
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1 8564.8660687 0.22837198155E-03
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2 1284.1516263 0.17682576447E-02
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3 292.27871604 0.91407080516E-02
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4 82.775469176 0.36342638989E-01
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5 27.017939269 0.11063458441
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6 9.8149619660 0.23367344321
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S 2
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1 3.9318559059 0.41818777978
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2 1.6595599712 0.22325473798
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S 1
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1 0.35762965239 1.0000000
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S 1
|
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1 0.14246277496 1.0000000
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S 1
|
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|
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1 0.60560594768E-01 1.0000000
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P 4
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1 22.453875803 0.50265575179E-02
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2 5.1045058330 0.32801738965E-01
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3 1.4986081344 0.13151230768
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4 0.50927831315 0.33197167769
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P 1
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1 0.18147077798 .47314319570
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P 1
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1 0.64621893904E-01 .25802783943
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D 1
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1 0.66100000 1.0000000
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D 1
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1 0.19900000 1.0000000
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F 1
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1 0.49000000 1.0000000
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CARBON
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S 6
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1 13575.3496820 0.22245814352E-03
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2 2035.2333680 0.17232738252E-02
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3 463.22562359 0.89255715314E-02
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4 131.20019598 0.35727984502E-01
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5 42.853015891 0.11076259931
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6 15.584185766 0.24295627626
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S 2
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1 6.2067138508 0.41440263448
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2 2.5764896527 0.23744968655
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S 1
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1 0.57696339419 1.0000000
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|
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S 1
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1 0.22972831358 1.0000000
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|
|
S 1
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|
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1 0.95164440028E-01 1.0000000
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P 4
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1 34.697232244 0.53333657805E-02
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2 7.9582622826 0.35864109092E-01
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3 2.3780826883 0.14215873329
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4 0.81433208183 0.34270471845
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P 1
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||
|
|
1 0.28887547253 .46445822433
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||
|
|
P 1
|
||
|
|
1 0.10056823671 .24955789874
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||
|
|
D 1
|
||
|
|
1 1.09700000 1.0000000
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|
|
D 1
|
||
|
|
1 0.31800000 1.0000000
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|
|
F 1
|
||
|
|
1 0.76100000 1.0000000
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||
|
|
|
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|
|
NITROGEN
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|
|
S 6
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1 19730.8006470 0.21887984991E-03
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2 2957.8958745 0.16960708803E-02
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|
|
3 673.22133595 0.87954603538E-02
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|
|
4 190.68249494 0.35359382605E-01
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|
|
5 62.295441898 0.11095789217
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|
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6 22.654161182 0.24982972552
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|
|
S 2
|
||
|
|
1 8.9791477428 0.40623896148
|
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|
|
2 3.6863002370 0.24338217176
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|
|
S 1
|
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|
|
1 0.84660076805 1.0000000
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|
|
S 1
|
||
|
|
1 0.33647133771 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.13647653675 1.0000000
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|
|
P 4
|
||
|
|
1 49.200380510 0.55552416751E-02
|
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|
|
2 11.346790537 0.38052379723E-01
|
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|
|
3 3.4273972411 0.14953671029
|
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|
|
4 1.1785525134 0.34949305230
|
||
|
|
P 1
|
||
|
|
1 0.41642204972 .45843153697
|
||
|
|
P 1
|
||
|
|
1 0.14260826011 .24428771672
|
||
|
|
D 1
|
||
|
|
1 1.65400000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.46900000 1.0000000
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|
|
F 1
|
||
|
|
1 1.09300000 1.0000000
|
||
|
|
|
||
|
|
OXYGEN
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||
|
|
S 6
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||
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|
1 27032.3826310 0.21726302465E-03
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|
2 4052.3871392 0.16838662199E-02
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|
|
3 922.32722710 0.87395616265E-02
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|
|
4 261.24070989 0.35239968808E-01
|
||
|
|
5 85.354641351 0.11153519115
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||
|
|
6 31.035035245 0.25588953961
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|
|
S 2
|
||
|
|
1 12.260860728 0.39768730901
|
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|
|
2 4.9987076005 0.24627849430
|
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|
|
S 1
|
||
|
|
1 1.1703108158 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.46474740994 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.18504536357 1.0000000
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||
|
|
P 4
|
||
|
|
1 63.274954801 0.60685103418E-02
|
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|
|
2 14.627049379 0.41912575824E-01
|
||
|
|
3 4.4501223456 0.16153841088
|
||
|
|
4 1.5275799647 0.35706951311
|
||
|
|
P 1
|
||
|
|
1 0.52935117943 .44794207502
|
||
|
|
P 1
|
||
|
|
1 0.17478421270 .24446069663
|
||
|
|
D 1
|
||
|
|
1 2.31400000 1.0000000
|
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|
|
D 1
|
||
|
|
1 0.64500000 1.0000000
|
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|
|
F 1
|
||
|
|
1 1.42800000 1.0000000
|
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|
|
|
||
|
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FLUORINE
|
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|
|
S 6
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|
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1 35479.1004410 0.21545014888E-03
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|
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2 5318.4728983 0.16700686527E-02
|
||
|
|
3 1210.4810975 0.86733211476E-02
|
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|
|
4 342.85518140 0.35049933175E-01
|
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|
|
5 112.01943181 0.11165320133
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|
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6 40.714740248 0.25988506647
|
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|
|
S 2
|
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|
|
1 16.039678111 0.39422966880
|
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|
|
2 6.5038186740 0.24998238551
|
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|
|
S 1
|
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|
|
1 1.5440477509 1.0000000
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|
|
S 1
|
||
|
|
1 0.61223452862 1.0000000
|
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|
|
S 1
|
||
|
|
1 0.24027979698 1.0000000
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|
|
P 4
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|
|
1 80.233900483 0.63685999134E-02
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|
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2 18.594010743 0.44303143530E-01
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|
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3 5.6867902653 0.16867248708
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|
|
4 1.9511006294 0.36166346255
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|
|
P 1
|
||
|
|
1 0.66970211298 .44202901491
|
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|
|
P 1
|
||
|
|
1 0.21651300410 .24319875730
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|
|
D 1
|
||
|
|
1 3.10700000 1.0000000
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|
|
D 1
|
||
|
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1 0.85500000 1.0000000
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|
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F 1
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|
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1 1.91700000 1.0000000
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|
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|
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NEON
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|
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S 6
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|
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1 45069.4640220 0.21687155182E-03
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|
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2 6755.9768656 0.16812736757E-02
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||
|
|
3 1537.6502864 0.87356062782E-02
|
||
|
|
4 435.51697667 0.35361266922E-01
|
||
|
|
5 142.28655638 0.11321521454
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|
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6 51.692153804 0.26654653104
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|
|
S 2
|
||
|
|
1 20.315870490 0.39631959951
|
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|
|
2 8.2021942646 0.25582811251
|
||
|
|
S 1
|
||
|
|
1 1.9681276278 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.77904756001 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.30229502043 1.0000000
|
||
|
|
P 4
|
||
|
|
1 99.782996032 0.65569234163E-02
|
||
|
|
2 23.176124101 0.45888009138E-01
|
||
|
|
3 7.1163945872 0.17331287812
|
||
|
|
4 2.4418711435 0.36475267512
|
||
|
|
P 1
|
||
|
|
1 0.83389605766 .43831075171
|
||
|
|
P 1
|
||
|
|
1 0.26607311301 .24160029835
|
||
|
|
D 1
|
||
|
|
1 4.01400000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.09600000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.54400000 1.0000000
|
||
|
|
|
||
|
|
SODIUM
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||
|
|
S 7
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||
|
|
1 26041.1099270 0.61806342811E-03
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|
|
2 3906.1268548 0.47748604414E-02
|
||
|
|
3 888.97454993 0.24471684829E-01
|
||
|
|
4 251.45497961 0.94755394977E-01
|
||
|
|
5 81.650143512 0.26867496920
|
||
|
|
6 28.904158401 0.47925475440
|
||
|
|
7 10.625782932 0.33248591469
|
||
|
|
S 3
|
||
|
|
1 53.769410179 0.19527731872E-01
|
||
|
|
2 16.308243025 0.92648010794E-01
|
||
|
|
3 2.3730384125 -0.39938670172
|
||
|
|
S 2
|
||
|
|
1 0.95730772603 1.6428595391
|
||
|
|
2 0.40806460959 0.55692596966
|
||
|
|
S 1
|
||
|
|
1 0.49967582329E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.19268616250E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 138.07979989 0.57951891929E-02
|
||
|
|
2 32.232700393 0.41620846251E-01
|
||
|
|
3 9.9816075360 0.16281916885
|
||
|
|
4 3.4822033928 0.36011784647
|
||
|
|
5 1.2299134620 0.44858979889
|
||
|
|
P 1
|
||
|
|
1 0.41743959423 .23040759559
|
||
|
|
P 1
|
||
|
|
1 0.0910000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0300000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.6090000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4300000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1000000 1.0000000
|
||
|
|
|
||
|
|
MAGNESIUM
|
||
|
|
S 7
|
||
|
|
1 31438.3495550 0.60912311326E-03
|
||
|
|
2 4715.5153354 0.47066196465E-02
|
||
|
|
3 1073.1629247 0.24135820657E-01
|
||
|
|
4 303.57238768 0.93628959834E-01
|
||
|
|
5 98.626251042 0.26646742093
|
||
|
|
6 34.943808417 0.47890929917
|
||
|
|
7 12.859785199 0.33698490286
|
||
|
|
S 3
|
||
|
|
1 64.876913004 0.19180889307E-01
|
||
|
|
2 19.725520777 0.90913704392E-01
|
||
|
|
3 2.8951804339 -0.39563756125
|
||
|
|
S 2
|
||
|
|
1 1.1960454710 1.6827603373
|
||
|
|
2 0.54329451156 0.52141091954
|
||
|
|
S 1
|
||
|
|
1 0.10099104092 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.36865728085E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 179.87189612 0.53799549018E-02
|
||
|
|
2 42.120069376 0.39318014098E-01
|
||
|
|
3 13.120503032 0.15740129476
|
||
|
|
4 4.6257503609 0.35919094128
|
||
|
|
5 1.6695211016 0.45533379310
|
||
|
|
P 1
|
||
|
|
1 0.58551012105 .21986432910
|
||
|
|
P 1
|
||
|
|
1 0.18914796195 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.53768755187E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.4440000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2900000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0700000 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 7
|
||
|
|
1 37792.5507720 0.57047888709E-03
|
||
|
|
2 5668.0682165 0.44093016538E-02
|
||
|
|
3 1289.8582841 0.22630967411E-01
|
||
|
|
4 364.86596028 0.88025644295E-01
|
||
|
|
5 118.57631515 0.25223701612
|
||
|
|
6 42.024867605 0.45960547169
|
||
|
|
7 15.499501629 0.33277886014
|
||
|
|
S 3
|
||
|
|
1 75.208026598 0.19250560190E-01
|
||
|
|
2 23.031408972 0.87906743952E-01
|
||
|
|
3 3.6348797649 -0.34246704535
|
||
|
|
S 2
|
||
|
|
1 1.6065049957 1.5106266058
|
||
|
|
2 0.76103394581 0.58071016470
|
||
|
|
S 1
|
||
|
|
1 0.16556708849 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.60041577113E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 452.52303192 0.23110812466E-02
|
||
|
|
2 107.08195049 0.18568641823E-01
|
||
|
|
3 34.131021255 0.87216237035E-01
|
||
|
|
4 12.587037428 0.26902101523
|
||
|
|
5 4.9811919704 0.52128324272
|
||
|
|
P 1
|
||
|
|
1 2.0070350900 .60271687494
|
||
|
|
P 1
|
||
|
|
1 0.80083714374 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.20178927472 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.57895550392E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.57000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.333000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.111000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.244000000 1.0000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 7
|
||
|
|
1 44773.3580780 0.55914765868E-03
|
||
|
|
2 6717.1992104 0.43206040189E-02
|
||
|
|
3 1528.8960325 0.22187096460E-01
|
||
|
|
4 432.54746585 0.86489249116E-01
|
||
|
|
5 140.61505226 0.24939889716
|
||
|
|
6 49.857636724 0.46017197366
|
||
|
|
7 18.434974885 0.34250236575
|
||
|
|
S 3
|
||
|
|
1 86.533886111 0.21300063007E-01
|
||
|
|
2 26.624606846 0.94676139318E-01
|
||
|
|
3 4.4953057159 -0.32616264859
|
||
|
|
S 2
|
||
|
|
1 2.1035045710 1.3980803850
|
||
|
|
2 1.0106094922 0.63865786699
|
||
|
|
S 1
|
||
|
|
1 0.23701751489 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.85703405362E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 394.47503628 0.26285693959E-02
|
||
|
|
2 93.137683104 0.20556257749E-01
|
||
|
|
3 29.519608742 0.92070262801E-01
|
||
|
|
4 10.781663791 0.25565889739
|
||
|
|
5 4.1626574778 0.42111707185
|
||
|
|
P 1
|
||
|
|
1 1.6247972989 .34401746318
|
||
|
|
P 1
|
||
|
|
1 0.54306660493 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.20582073956 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.70053487306E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.30300000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.476000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.160000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.336000000 1.0000000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 7
|
||
|
|
1 52426.9992330 0.55207164100E-03
|
||
|
|
2 7863.2660552 0.42678595308E-02
|
||
|
|
3 1789.5227333 0.21931529186E-01
|
||
|
|
4 506.27300165 0.85667168373E-01
|
||
|
|
5 164.60698546 0.24840686605
|
||
|
|
6 58.391918722 0.46336753971
|
||
|
|
7 21.643663201 0.35350558156
|
||
|
|
S 3
|
||
|
|
1 99.013837620 0.21895679958E-01
|
||
|
|
2 30.550439817 0.95650470295E-01
|
||
|
|
3 5.4537087661 -0.29454270186
|
||
|
|
S 2
|
||
|
|
1 2.6503362563 1.3294381200
|
||
|
|
2 1.2726688867 0.66109396473
|
||
|
|
S 1
|
||
|
|
1 0.31645005203 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.11417466938 1.0000000
|
||
|
|
P 5
|
||
|
|
1 472.27219248 0.25710623052E-02
|
||
|
|
2 111.58882756 0.20250297999E-01
|
||
|
|
3 35.445936418 0.91580716787E-01
|
||
|
|
4 12.990776875 0.25749454014
|
||
|
|
5 5.0486221658 0.42862899758
|
||
|
|
P 1
|
||
|
|
1 1.9934049566 .34359817849
|
||
|
|
P 1
|
||
|
|
1 0.66527284430 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.25516832128 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.90357762251E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.12000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.648000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.218000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.452000000 1.0000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 7
|
||
|
|
1 60700.9281040 0.54695944225E-03
|
||
|
|
2 9102.6106854 0.42297224557E-02
|
||
|
|
3 2071.4166009 0.21747824159E-01
|
||
|
|
4 586.02476821 0.85100053589E-01
|
||
|
|
5 190.55395021 0.24799128459
|
||
|
|
6 67.630384260 0.46703640406
|
||
|
|
7 25.127306905 0.36434587550
|
||
|
|
S 3
|
||
|
|
1 112.57463010 0.21670040240E-01
|
||
|
|
2 34.795554217 0.93602301760E-01
|
||
|
|
3 6.5115556215 -0.26068001422
|
||
|
|
S 2
|
||
|
|
1 3.2399032261 1.2842089435
|
||
|
|
2 1.5477160881 0.66036416584
|
||
|
|
S 1
|
||
|
|
1 0.40541030112 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.14550651059 1.0000000
|
||
|
|
P 5
|
||
|
|
1 564.36716027 0.24796796317E-02
|
||
|
|
2 133.42624379 0.19677930250E-01
|
||
|
|
3 42.468271189 0.89980008258E-01
|
||
|
|
4 15.616527580 0.25705880575
|
||
|
|
5 6.1093988469 0.43515167292
|
||
|
|
P 1
|
||
|
|
1 2.4404160198 .34883240595
|
||
|
|
P 1
|
||
|
|
1 0.83882201296 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.31288746900 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.10770109004 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.75600000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.812000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.273000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.557000000 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 7
|
||
|
|
1 69507.9909450 0.54314897497E-03
|
||
|
|
2 10426.1568800 0.41990463961E-02
|
||
|
|
3 2373.2334061 0.21592141679E-01
|
||
|
|
4 671.56420071 0.84598850094E-01
|
||
|
|
5 218.41999790 0.24757249724
|
||
|
|
6 77.572249714 0.47016930228
|
||
|
|
7 28.888815277 0.37436370716
|
||
|
|
S 3
|
||
|
|
1 127.10527185 0.25182166603E-01
|
||
|
|
2 39.339582961 0.10786112456
|
||
|
|
3 7.6740679989 -0.27408821574
|
||
|
|
S 2
|
||
|
|
1 3.8745627630 1.3213875014
|
||
|
|
2 1.8385832573 0.68636955368
|
||
|
|
S 1
|
||
|
|
1 0.50229057542 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.17962723420 1.0000000
|
||
|
|
P 5
|
||
|
|
1 666.50423284 0.23632663836E-02
|
||
|
|
2 157.64241690 0.18879300374E-01
|
||
|
|
3 50.262520978 0.87206341273E-01
|
||
|
|
4 18.536078105 0.25285612970
|
||
|
|
5 7.2940532777 0.43507154820
|
||
|
|
P 1
|
||
|
|
1 2.9433248995 .35026513165
|
||
|
|
P 1
|
||
|
|
1 1.0404970818 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.38456415080 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.13069642732 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.61000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.01100000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.339000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.706000000 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 7
|
||
|
|
1 79111.4229980 0.51029325002E-03
|
||
|
|
2 11864.7460090 0.39463036981E-02
|
||
|
|
3 2700.1642973 0.20307073910E-01
|
||
|
|
4 763.95943485 0.79691825214E-01
|
||
|
|
5 248.45150561 0.23420623836
|
||
|
|
6 88.283581000 0.44833849481
|
||
|
|
7 32.948607069 0.36408167400
|
||
|
|
S 3
|
||
|
|
1 142.55358000 0.26387407001E-01
|
||
|
|
2 44.163688009 0.11226433999
|
||
|
|
3 8.9524995000 -0.26178922001
|
||
|
|
S 2
|
||
|
|
1 4.5546920941 1.3002484998
|
||
|
|
2 2.1444079001 0.67197237009
|
||
|
|
S 1
|
||
|
|
1 0.60708777004 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.21651431999 1.0000000
|
||
|
|
P 5
|
||
|
|
1 776.77541998 0.22028005003E-02
|
||
|
|
2 183.80107018 0.17694180008E-01
|
||
|
|
3 58.694003175 0.82431293717E-01
|
||
|
|
4 21.701591695 0.24207278863
|
||
|
|
5 8.5821489635 0.42263558251
|
||
|
|
P 1
|
||
|
|
1 3.4922679161 .34151806086
|
||
|
|
P 1
|
||
|
|
1 1.2637426998 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.46607870005 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.15766003000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.55100000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.23500000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.412000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.890000000 1.0000000
|
||
|
|
|
||
|
|
POTASSIUM
|
||
|
|
S 8
|
||
|
|
1 153976.1832500 0.23662636107E-03
|
||
|
|
2 23082.4976720 0.18342929137E-02
|
||
|
|
3 5253.2344745 0.95310527769E-02
|
||
|
|
4 1486.9550133 0.38638406980E-01
|
||
|
|
5 484.06333726 0.12480768502
|
||
|
|
6 173.56653980 0.29278861009
|
||
|
|
7 67.116381464 0.40633425860
|
||
|
|
8 26.339502054 0.20077215860
|
||
|
|
S 4
|
||
|
|
1 172.87693567 -0.24200960936E-01
|
||
|
|
2 53.058649063 -0.11553095040
|
||
|
|
3 7.9212753964 0.57455545175
|
||
|
|
4 3.2108880472 0.57023185107
|
||
|
|
S 2
|
||
|
|
1 4.5662070895 -0.22615763466
|
||
|
|
2 0.70209907282 0.75528392045
|
||
|
|
S 1
|
||
|
|
1 0.28258942635 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.35805824617E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.15819213245E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 728.18449873 0.26150689792E-02
|
||
|
|
2 172.13265061 0.20673630835E-01
|
||
|
|
3 54.829847075 0.93205603870E-01
|
||
|
|
4 20.166266494 0.25436518210
|
||
|
|
5 7.8610728806 0.39131132810
|
||
|
|
6 3.1105213132 0.22481345943
|
||
|
|
P 3
|
||
|
|
1 11.757337492 -0.25777289217E-01
|
||
|
|
2 1.5139617411 0.57359428604
|
||
|
|
3 0.58328591795 1.0798320002
|
||
|
|
P 1
|
||
|
|
1 0.21570478076 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0417370 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.9300000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1800000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0540000 1.0000000
|
||
|
|
|
||
|
|
CALCIUM
|
||
|
|
S 8
|
||
|
|
1 172517.3268500 0.23317502546E-03
|
||
|
|
2 25861.5192750 0.18076521980E-02
|
||
|
|
3 5885.6618668 0.93943844255E-02
|
||
|
|
4 1665.9730031 0.38108409009E-01
|
||
|
|
5 542.36718148 0.12331203853
|
||
|
|
6 194.57803492 0.29004470954
|
||
|
|
7 75.303597636 0.40587151157
|
||
|
|
8 29.574062589 0.20398410743
|
||
|
|
S 4
|
||
|
|
1 191.20074660 -0.24419759759E-01
|
||
|
|
2 58.840299883 -0.11547027448
|
||
|
|
3 8.9642540845 0.56356636717
|
||
|
|
4 3.6856960541 0.56709682704
|
||
|
|
S 2
|
||
|
|
1 5.2464289726 -0.22825334325
|
||
|
|
2 0.84862621528 0.72625219172
|
||
|
|
S 1
|
||
|
|
1 0.36743300538 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.66821582613E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.26759730445E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 836.97262058 0.25258346092E-02
|
||
|
|
2 197.93040142 0.20076506686E-01
|
||
|
|
3 63.135558054 0.91302987366E-01
|
||
|
|
4 23.282687170 0.25247029915
|
||
|
|
5 9.1176444932 0.39426326344
|
||
|
|
6 3.6336120139 0.23011559492
|
||
|
|
P 3
|
||
|
|
1 13.494163120 -0.26495021951E-01
|
||
|
|
2 1.8139259790 0.55088108210
|
||
|
|
3 0.71981826006 1.0280616620
|
||
|
|
P 1
|
||
|
|
1 0.27629576992 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0749790 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0269270 1.0000000
|
||
|
|
D 2
|
||
|
|
1 5.4979093879 0.73770011433E-01
|
||
|
|
2 1.3177128032 0.26052853169
|
||
|
|
D 1
|
||
|
|
1 0.32188682649 0.45233836380
|
||
|
|
D 1
|
||
|
|
1 0.70528614919E-01 1.0000000
|
||
|
|
|
||
|
|
SCANDIUM
|
||
|
|
S 8
|
||
|
|
1 191612.9187400 0.23076475942E-03
|
||
|
|
2 28723.8503630 0.17890329946E-02
|
||
|
|
3 6537.0116490 0.92990401140E-02
|
||
|
|
4 1850.3097171 0.37739438011E-01
|
||
|
|
5 602.38855156 0.12227148359
|
||
|
|
6 216.17324766 0.28814821470
|
||
|
|
7 83.712517880 0.40517543099
|
||
|
|
8 32.908707189 0.20566019623
|
||
|
|
S 4
|
||
|
|
1 211.34393234 -0.24527991462E-01
|
||
|
|
2 65.128920139 -0.11570158142
|
||
|
|
3 10.034311535 0.55995283317
|
||
|
|
4 4.1596884597 0.56087765073
|
||
|
|
S 2
|
||
|
|
1 6.0009041613 -0.22840494325
|
||
|
|
2 0.98255784150 0.71948970378
|
||
|
|
S 1
|
||
|
|
1 0.42483192773 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.77185462096E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.30147219702E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 947.34122823 0.24737208744E-02
|
||
|
|
2 224.09699732 0.19742967060E-01
|
||
|
|
3 71.560334882 0.90357147549E-01
|
||
|
|
4 26.444824490 0.25201602503
|
||
|
|
5 10.393798285 0.39675535929
|
||
|
|
6 4.1606304559 0.23208624517
|
||
|
|
P 3
|
||
|
|
1 15.565737135 -0.27129423974E-01
|
||
|
|
2 2.1121544865 0.55109256629
|
||
|
|
3 0.84184709021 1.0090635806
|
||
|
|
P 1
|
||
|
|
1 0.32297542652 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1239000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0475300 1.0000000
|
||
|
|
D 4
|
||
|
|
1 30.989390993 0.11902837431E-01
|
||
|
|
2 8.6905465069 0.67655856850E-01
|
||
|
|
3 2.9520256337 0.21332539722
|
||
|
|
4 1.0761910745 0.38391075578
|
||
|
|
D 1
|
||
|
|
1 0.38338915095 .43354716259
|
||
|
|
D 1
|
||
|
|
1 0.12534686113 .24509263822
|
||
|
|
D 1
|
||
|
|
1 0.0410000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4420000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1100000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2470000 1.0000000
|
||
|
|
|
||
|
|
TITANIUM
|
||
|
|
S 8
|
||
|
|
1 211575.6902500 0.23318151011E-03
|
||
|
|
2 31714.9450580 0.18079690851E-02
|
||
|
|
3 7217.5476543 0.93984311352E-02
|
||
|
|
4 2042.9394247 0.38156853618E-01
|
||
|
|
5 665.12896208 0.12374757197
|
||
|
|
6 238.74942264 0.29208551143
|
||
|
|
7 92.508691001 0.41226800855
|
||
|
|
8 36.403919209 0.21090534061
|
||
|
|
S 4
|
||
|
|
1 232.72624607 -0.24920140738E-01
|
||
|
|
2 71.791209711 -0.11746490087
|
||
|
|
3 11.158534615 0.56503342318
|
||
|
|
4 4.6548135416 0.56211101812
|
||
|
|
S 2
|
||
|
|
1 6.8034629174 -0.23011425503
|
||
|
|
2 1.1201076403 0.72103186735
|
||
|
|
S 1
|
||
|
|
1 0.48080118839 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.85157274977E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.32657477046E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1063.1474732 0.24690839320E-02
|
||
|
|
2 251.56507061 0.19773345523E-01
|
||
|
|
3 80.408554854 0.90987976672E-01
|
||
|
|
4 29.768193269 0.25559900413
|
||
|
|
5 11.736830556 0.40489386764
|
||
|
|
6 4.7142375230 0.23693402558
|
||
|
|
P 3
|
||
|
|
1 17.796803704 -0.27878639615E-01
|
||
|
|
2 2.4272698680 0.55672914668
|
||
|
|
3 0.96823445537 1.0055447350
|
||
|
|
P 1
|
||
|
|
1 0.37056694165 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1418000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0542700 1.0000000
|
||
|
|
D 4
|
||
|
|
1 37.713384723 0.11513835092E-01
|
||
|
|
2 10.692931184 0.67246343996E-01
|
||
|
|
3 3.6728446990 0.21484207775
|
||
|
|
4 1.3588590303 0.38890892779
|
||
|
|
D 1
|
||
|
|
1 0.49213295253 .43040835243
|
||
|
|
D 1
|
||
|
|
1 0.16330520653 .23253305465
|
||
|
|
D 1
|
||
|
|
1 0.0540000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.0750000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2539000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6340000 1.0000000
|
||
|
|
|
||
|
|
VANADIUM
|
||
|
|
S 8
|
||
|
|
1 232340.6505800 0.23072410092E-03
|
||
|
|
2 34828.8411700 0.17888178962E-02
|
||
|
|
3 7926.5448691 0.92992490131E-02
|
||
|
|
4 2243.7733046 0.37761463347E-01
|
||
|
|
5 730.59322944 0.12255909662
|
||
|
|
6 262.32219631 0.28963508811
|
||
|
|
7 101.70403805 0.41004702955
|
||
|
|
8 40.064784617 0.21113610858
|
||
|
|
S 4
|
||
|
|
1 255.24014968 -0.24458116338E-01
|
||
|
|
2 78.804646961 -0.11527205366
|
||
|
|
3 12.340598946 0.55174749453
|
||
|
|
4 5.1742019219 0.54504528489
|
||
|
|
S 2
|
||
|
|
1 7.6513894469 -0.22967638286
|
||
|
|
2 1.2639759898 0.71683769077
|
||
|
|
S 1
|
||
|
|
1 0.53861761721 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.92719296124E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.34998055176E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1184.2369151 0.24449826729E-02
|
||
|
|
2 280.23075192 0.19643454466E-01
|
||
|
|
3 89.643627137 0.90796949190E-01
|
||
|
|
4 33.242411253 0.25650768222
|
||
|
|
5 13.144514452 0.40815393750
|
||
|
|
6 5.2948534140 0.23860378268
|
||
|
|
P 3
|
||
|
|
1 20.175586851 -0.28241489023E-01
|
||
|
|
2 2.7605865197 0.55574635619
|
||
|
|
3 1.1008900902 0.99319919270
|
||
|
|
P 1
|
||
|
|
1 0.42013310739 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1603000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0611900 1.0000000
|
||
|
|
D 4
|
||
|
|
1 43.861134864 0.11487174238E-01
|
||
|
|
2 12.516021891 0.68247153977E-01
|
||
|
|
3 4.3313854957 0.21837784195
|
||
|
|
4 1.6138855773 0.39245212296
|
||
|
|
D 1
|
||
|
|
1 0.58749573961 .42634466786
|
||
|
|
D 1
|
||
|
|
1 0.19515723011 .22646562601
|
||
|
|
D 1
|
||
|
|
1 0.0650000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.7080000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3980000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.0090000 1.0000000
|
||
|
|
|
||
|
|
CHROMIUM
|
||
|
|
S 8
|
||
|
|
1 254477.8070400 0.23386945693E-03
|
||
|
|
2 38131.7970540 0.18142601800E-02
|
||
|
|
3 8675.2930607 0.94363925721E-02
|
||
|
|
4 2455.0099848 0.38343639367E-01
|
||
|
|
5 799.16217787 0.12459194837
|
||
|
|
6 286.90021489 0.29489696029
|
||
|
|
7 111.25413232 0.41846149607
|
||
|
|
8 43.864152636 0.21633763420
|
||
|
|
S 4
|
||
|
|
1 279.32669173 -0.23450908111E-01
|
||
|
|
2 86.274732376 -0.11080370027
|
||
|
|
3 13.555756113 0.53028965842
|
||
|
|
4 5.6978112751 0.51603516947
|
||
|
|
S 2
|
||
|
|
1 8.5636582615 -0.38109545675
|
||
|
|
2 1.3988296768 1.1991591436
|
||
|
|
S 1
|
||
|
|
1 0.57288171116 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.90096171317E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.34125885135E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1306.4398864 0.24277326185E-02
|
||
|
|
2 309.25311441 0.19544041017E-01
|
||
|
|
3 98.996273963 0.90651794553E-01
|
||
|
|
4 36.756916451 0.25699279154
|
||
|
|
5 14.566657077 0.40935504891
|
||
|
|
6 5.8739937432 0.23729388849
|
||
|
|
P 3
|
||
|
|
1 22.890999695 -0.28166026613E-01
|
||
|
|
2 3.0855001822 0.56034120148
|
||
|
|
3 1.2132329118 0.98119019650
|
||
|
|
P 1
|
||
|
|
1 0.44931680699 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1664000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0616300 1.0000000
|
||
|
|
D 4
|
||
|
|
1 43.720074476 0.13622964026E-01
|
||
|
|
2 12.391242652 0.78935180133E-01
|
||
|
|
3 4.2639442006 0.23833840000
|
||
|
|
4 1.5525221790 0.39526851122
|
||
|
|
D 1
|
||
|
|
1 0.53761929485 .41061717056
|
||
|
|
D 1
|
||
|
|
1 0.16493173074 .24440410795
|
||
|
|
D 1
|
||
|
|
1 0.0510000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.3410000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5420000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.3820000 1.0000000
|
||
|
|
|
||
|
|
MANGANESE
|
||
|
|
S 8
|
||
|
|
1 277185.0015300 0.22838385133E-03
|
||
|
|
2 41550.7698900 0.17707650375E-02
|
||
|
|
3 9455.9700152 0.92077209994E-02
|
||
|
|
4 2676.5206482 0.37415971825E-01
|
||
|
|
5 871.46687530 0.12164861426
|
||
|
|
6 312.98306420 0.28824392499
|
||
|
|
7 121.44454051 0.41041600847
|
||
|
|
8 47.922598829 0.21372375145
|
||
|
|
S 4
|
||
|
|
1 303.66723163 -0.24589926140E-01
|
||
|
|
2 93.881403187 -0.11602608038
|
||
|
|
3 14.879421214 0.55112059677
|
||
|
|
4 6.2865200745 0.53707560756
|
||
|
|
S 2
|
||
|
|
1 9.4858591337 -0.22889262695
|
||
|
|
2 1.5698706158 0.71196169587
|
||
|
|
S 1
|
||
|
|
1 0.65903213608 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10686292371 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.39267435433E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1444.7978182 0.23994136455E-02
|
||
|
|
2 342.06551197 0.19369286864E-01
|
||
|
|
3 109.58400891 0.90236108988E-01
|
||
|
|
4 40.747988173 0.25745467851
|
||
|
|
5 16.188626566 0.41272351958
|
||
|
|
6 6.5484505964 0.24087700007
|
||
|
|
P 3
|
||
|
|
1 25.357086437 -0.28707174058E-01
|
||
|
|
2 3.4830168782 0.55208100712
|
||
|
|
3 1.3858800906 0.97226901379
|
||
|
|
P 1
|
||
|
|
1 0.52555094893 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1993000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0755700 1.0000000
|
||
|
|
D 4
|
||
|
|
1 56.563189119 0.11543245294532E-01
|
||
|
|
2 16.278734711 0.70299845987196E-01
|
||
|
|
3 5.6964273914 0.22450770821295
|
||
|
|
4 2.1411147942 0.39703065434226
|
||
|
|
D 1
|
||
|
|
1 0.78291801938 .41941039165375
|
||
|
|
D 1
|
||
|
|
1 0.25952311214 .21887261672743
|
||
|
|
D 1
|
||
|
|
1 0.0860000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.9750000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.7200000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.7550000 1.0000000
|
||
|
|
|
||
|
|
IRON
|
||
|
|
S 8
|
||
|
|
1 300784.8463700 0.22806273096E-03
|
||
|
|
2 45088.9705570 0.17681788761E-02
|
||
|
|
3 10262.5163170 0.91927083490E-02
|
||
|
|
4 2905.2897293 0.37355495807E-01
|
||
|
|
5 946.11487137 0.12151108426
|
||
|
|
6 339.87832894 0.28818881468
|
||
|
|
7 131.94425588 0.41126612677
|
||
|
|
8 52.111494077 0.21518583573
|
||
|
|
S 4
|
||
|
|
1 329.48839267 -0.24745216477E-01
|
||
|
|
2 101.92332739 -0.11683089050
|
||
|
|
3 16.240462745 0.55293621136
|
||
|
|
4 6.8840675801 0.53601640182
|
||
|
|
S 2
|
||
|
|
1 10.470693782 -0.22912708577
|
||
|
|
2 1.7360039648 0.71159319984
|
||
|
|
S 1
|
||
|
|
1 0.72577288979 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.11595528203 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.41968227746E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1585.3959970 0.23793960179E-02
|
||
|
|
2 375.38006499 0.19253154755E-01
|
||
|
|
3 120.31816501 0.90021836536E-01
|
||
|
|
4 44.788749031 0.25798172356
|
||
|
|
5 17.829278584 0.41492649744
|
||
|
|
6 7.2247153786 0.24207474784
|
||
|
|
P 3
|
||
|
|
1 28.143219756 -0.29041755152E-01
|
||
|
|
2 3.8743241412 0.55312260343
|
||
|
|
3 1.5410752281 0.96771136842
|
||
|
|
P 1
|
||
|
|
1 0.58285615250 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2204000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0833800 1.0000000
|
||
|
|
D 4
|
||
|
|
1 61.996675034 0.11971972255E-01
|
||
|
|
2 17.873732552 0.73210135410E-01
|
||
|
|
3 6.2744782934 0.23103094314
|
||
|
|
4 2.3552337175 0.39910706494
|
||
|
|
D 1
|
||
|
|
1 0.85432239901 .41391589765
|
||
|
|
D 1
|
||
|
|
1 0.27869254413 .21909269782
|
||
|
|
D 1
|
||
|
|
1 0.0910000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.4650000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8430000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.1280000 1.0000000
|
||
|
|
|
||
|
|
COBALT
|
||
|
|
S 8
|
||
|
|
1 325817.0155300 0.22568462484E-03
|
||
|
|
2 48839.6364530 0.17499397533E-02
|
||
|
|
3 11114.9373070 0.91003134097E-02
|
||
|
|
4 3146.1603642 0.36996256837E-01
|
||
|
|
5 1024.4378465 0.12044269621
|
||
|
|
6 368.02508816 0.28598731649
|
||
|
|
7 142.91229205 0.40908312004
|
||
|
|
8 56.482649209 0.21500145739
|
||
|
|
S 4
|
||
|
|
1 356.40298318 -0.24767059678E-01
|
||
|
|
2 110.31165215 -0.11702139134
|
||
|
|
3 17.659634834 0.55215522200
|
||
|
|
4 7.5059030479 0.53246877060
|
||
|
|
S 2
|
||
|
|
1 11.501807176 -0.22942470077
|
||
|
|
2 1.9081994606 0.71180933514
|
||
|
|
S 1
|
||
|
|
1 0.79396696891 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.12444448829 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.44444645379E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1731.1369144 0.23905767685E-02
|
||
|
|
2 409.91750438 0.19382999967E-01
|
||
|
|
3 131.45648578 0.90905448509E-01
|
||
|
|
4 48.987439714 0.26146681577
|
||
|
|
5 19.537078992 0.42157264570
|
||
|
|
6 7.9287281634 0.24571813557
|
||
|
|
P 3
|
||
|
|
1 31.076017584 -0.29438069973E-01
|
||
|
|
2 4.2835180697 0.55615568168
|
||
|
|
3 1.7022921563 0.96772195064
|
||
|
|
P 1
|
||
|
|
1 0.64202908602 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2421000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0913200 1.0000000
|
||
|
|
D 4
|
||
|
|
1 68.140745239 0.11983845360E-01
|
||
|
|
2 19.685241019 0.73688540475E-01
|
||
|
|
3 6.9322128825 0.23085496779
|
||
|
|
4 2.6025125694 0.39281059225
|
||
|
|
D 1
|
||
|
|
1 0.94016837302 .40203412228
|
||
|
|
D 1
|
||
|
|
1 0.30381457794 .21415606743
|
||
|
|
D 1
|
||
|
|
1 0.0980000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.9550000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9650000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.5000000 1.0000000
|
||
|
|
|
||
|
|
NICKEL
|
||
|
|
S 8
|
||
|
|
1 351535.7293500 0.22529386884E-03
|
||
|
|
2 52695.8092830 0.17468616223E-02
|
||
|
|
3 11992.4682930 0.90849992136E-02
|
||
|
|
4 3394.5776689 0.36940748447E-01
|
||
|
|
5 1105.3594585 0.12032819950
|
||
|
|
6 397.14677769 0.28596715057
|
||
|
|
7 154.27542974 0.40983020196
|
||
|
|
8 61.018723780 0.21620642851
|
||
|
|
S 4
|
||
|
|
1 384.45559739 -0.24651279268E-01
|
||
|
|
2 119.04879199 -0.11658505277
|
||
|
|
3 19.137012223 0.54864126676
|
||
|
|
4 8.1526718562 0.52640051122
|
||
|
|
S 2
|
||
|
|
1 12.579408642 -0.22797884293
|
||
|
|
2 2.0870866081 0.70703738215
|
||
|
|
S 1
|
||
|
|
1 0.86432568555 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.13283169217 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.46845327726E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1883.0907486 0.23748258443E-02
|
||
|
|
2 445.95155320 0.19289457172E-01
|
||
|
|
3 143.08430815 0.90718211507E-01
|
||
|
|
4 53.372920722 0.26181414117
|
||
|
|
5 21.321919357 0.42309149832
|
||
|
|
6 8.6643561994 0.24641686015
|
||
|
|
P 3
|
||
|
|
1 34.144255211 -0.29677129163E-01
|
||
|
|
2 4.7122455921 0.55616824096
|
||
|
|
3 1.8709231845 0.96357766460
|
||
|
|
P 1
|
||
|
|
1 0.70370016267 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2646000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0995500 1.0000000
|
||
|
|
D 4
|
||
|
|
1 74.591603465 0.12077454672E-01
|
||
|
|
2 21.590632752 0.74637262154E-01
|
||
|
|
3 7.6246142580 0.23236775502
|
||
|
|
4 2.8632206762 0.39042651680
|
||
|
|
D 1
|
||
|
|
1 1.0311063388 .39509498921
|
||
|
|
D 1
|
||
|
|
1 0.33060760691 .21138769167
|
||
|
|
D 1
|
||
|
|
1 0.1060000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 4.4460000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.0870000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.8720000 1.0000000
|
||
|
|
|
||
|
|
COPPER
|
||
|
|
S 8
|
||
|
|
1 377518.7992300 0.22811766128E-03
|
||
|
|
2 56589.9843110 0.17688035931E-02
|
||
|
|
3 12878.7117060 0.91993460227E-02
|
||
|
|
4 3645.3752143 0.37411016434E-01
|
||
|
|
5 1187.0072945 0.12189873737
|
||
|
|
6 426.46421902 0.28983900714
|
||
|
|
7 165.70660164 0.41531872174
|
||
|
|
8 65.598942707 0.21905799287
|
||
|
|
S 4
|
||
|
|
1 414.41265811 -0.24682525053E-01
|
||
|
|
2 128.32056039 -0.11716827406
|
||
|
|
3 20.622089750 0.55301315941
|
||
|
|
4 8.7821226045 0.52242718609
|
||
|
|
S 2
|
||
|
|
1 13.741372006 -0.22736061821
|
||
|
|
2 2.2431246833 0.71761210873
|
||
|
|
S 1
|
||
|
|
1 0.89370549079 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10836699534 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.38806178058E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 2034.7596692 0.23524822298E-02
|
||
|
|
2 481.90468106 0.19134070751E-01
|
||
|
|
3 154.67482963 0.90171105278E-01
|
||
|
|
4 57.740576969 0.26063284735
|
||
|
|
5 23.099052811 0.42093485770
|
||
|
|
6 9.3882478591 0.24344615121
|
||
|
|
P 3
|
||
|
|
1 37.596171210 -0.28991094530E-01
|
||
|
|
2 5.1240690810 0.54919083831
|
||
|
|
3 2.0119996085 0.93793330488
|
||
|
|
P 1
|
||
|
|
1 0.73860686002 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2711000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0995400 1.0000000
|
||
|
|
D 4
|
||
|
|
1 74.129460637 0.14363216676E-01
|
||
|
|
2 21.359842587 0.86628177096E-01
|
||
|
|
3 7.4995240537 0.25631430541
|
||
|
|
4 2.7601394169 0.40374062368
|
||
|
|
D 1
|
||
|
|
1 0.95362061236 .39427042447
|
||
|
|
D 1
|
||
|
|
1 0.28420862520 .23091146816
|
||
|
|
D 1
|
||
|
|
1 0.0850000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 4.9360000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.2090000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 3.2450000 1.0000000
|
||
|
|
|
||
|
|
ZINC
|
||
|
|
S 8
|
||
|
|
1 405924.3102800 0.22442017483E-03
|
||
|
|
2 60846.9557350 0.17402086626E-02
|
||
|
|
3 13847.3430920 0.90513339565E-02
|
||
|
|
4 3919.6158551 0.36817341445E-01
|
||
|
|
5 1276.3594167 0.12004850256
|
||
|
|
6 458.67254435 0.28576057621
|
||
|
|
7 178.28725246 0.41087462062
|
||
|
|
8 70.612192837 0.21816962456
|
||
|
|
S 4
|
||
|
|
1 443.88077950 -0.24934274984E-01
|
||
|
|
2 137.55875267 -0.11817955766
|
||
|
|
3 22.268083479 0.55367318468
|
||
|
|
4 9.5217310606 0.52628934936
|
||
|
|
S 2
|
||
|
|
1 14.874114065 -0.22929955254
|
||
|
|
2 2.4647517612 0.71135484742
|
||
|
|
S 1
|
||
|
|
1 1.0113272238 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.14919852089 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.51441872981E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 2205.3508534 0.23356240448E-02
|
||
|
|
2 522.35300699 0.19031022634E-01
|
||
|
|
3 167.73055542 0.89955758675E-01
|
||
|
|
4 62.670045373 0.26113248631
|
||
|
|
5 25.109749456 0.42348448173
|
||
|
|
6 10.225142681 0.24618926885
|
||
|
|
P 3
|
||
|
|
1 40.713442521 -0.30029667592E-01
|
||
|
|
2 5.6247090696 0.55575254864
|
||
|
|
3 2.2279949116 0.95581013442
|
||
|
|
P 1
|
||
|
|
1 0.83354741691 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1624550 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0477690 1.0000000
|
||
|
|
D 4
|
||
|
|
1 88.554315311 0.12728170015E-01
|
||
|
|
2 25.721525557 0.79394499843E-01
|
||
|
|
3 9.1278367624 0.24491506805
|
||
|
|
4 3.4312364064 0.40390526479
|
||
|
|
D 1
|
||
|
|
1 1.2308920645 .40158491145
|
||
|
|
D 1
|
||
|
|
1 0.39031845112 .21579805034
|
||
|
|
D 1
|
||
|
|
1 0.1240000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 5.6940000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.4330000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 3.6170000 1.0000000
|
||
|
|
|
||
|
|
GALLIUM
|
||
|
|
S 8
|
||
|
|
1 435548.6625400 0.23646329650E-03
|
||
|
|
2 65289.5890310 0.18335271776E-02
|
||
|
|
3 14858.7842560 0.95371863081E-02
|
||
|
|
4 4205.9734729 0.38803412468E-01
|
||
|
|
5 1369.6416431 0.12661604848
|
||
|
|
6 492.30348905 0.30175310292
|
||
|
|
7 191.41923233 0.43543934218
|
||
|
|
8 75.840558665 0.23282363780
|
||
|
|
S 4
|
||
|
|
1 474.30810613 -0.26743707958E-01
|
||
|
|
2 147.10297560 -0.12654657542
|
||
|
|
3 23.982599435 0.58840346839
|
||
|
|
4 10.298230094 0.56324271589
|
||
|
|
S 2
|
||
|
|
1 16.050381430 -0.24516439508
|
||
|
|
2 2.6988468784 0.74578049593
|
||
|
|
S 1
|
||
|
|
1 1.1428588736 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.20217652251 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.71980152032E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 2432.0171070 0.22434065928E-02
|
||
|
|
2 576.12049582 0.18342265336E-01
|
||
|
|
3 185.11584354 0.87279697167E-01
|
||
|
|
4 69.246572556 0.25684868351
|
||
|
|
5 27.818107777 0.42398378107
|
||
|
|
6 11.420229938 0.25701340043
|
||
|
|
P 3
|
||
|
|
1 42.819661530 -0.19326519119E-01
|
||
|
|
2 6.3885901000 0.31571386917
|
||
|
|
3 2.6698993326 0.57617792822
|
||
|
|
P 1
|
||
|
|
1 1.0781783834 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.22796559371 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.62836234833E-01 1.0000000
|
||
|
|
D 5
|
||
|
|
1 103.92331829 0.11464613652E-01
|
||
|
|
2 30.371094389 0.73625747383E-01
|
||
|
|
3 10.872078097 0.23505107382
|
||
|
|
4 4.1549137954 0.40318563513
|
||
|
|
5 1.5345659145 0.40824748152
|
||
|
|
D 1
|
||
|
|
1 0.51114263830 .20502439263
|
||
|
|
D 1
|
||
|
|
1 0.30622000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.11391309 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.30996095 1.0000000
|
||
|
|
|
||
|
|
GERMANIUM
|
||
|
|
S 8
|
||
|
|
1 466115.0059200 0.22487264660E-03
|
||
|
|
2 69875.4207620 0.17435426729E-02
|
||
|
|
3 15903.2767160 0.90691482206E-02
|
||
|
|
4 4501.8233453 0.36906174685E-01
|
||
|
|
5 1466.0570924 0.12050167907
|
||
|
|
6 527.07841728 0.28748641703
|
||
|
|
7 205.00395074 0.41622321885
|
||
|
|
8 81.251596065 0.22397845695
|
||
|
|
S 4
|
||
|
|
1 505.74661282 -0.25184609291E-01
|
||
|
|
2 156.96593744 -0.11898929721
|
||
|
|
3 25.761448176 0.54930135870
|
||
|
|
4 11.106654687 0.52939309129
|
||
|
|
S 2
|
||
|
|
1 17.272059104 -0.22854595728
|
||
|
|
2 2.9438289048 0.68377930317
|
||
|
|
S 1
|
||
|
|
1 1.2839164916 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.25873337445 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.93524913177E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 2633.9346241 0.22143925310E-02
|
||
|
|
2 624.00161628 0.18140899141E-01
|
||
|
|
3 200.58528404 0.86632184922E-01
|
||
|
|
4 75.097081525 0.25649020592
|
||
|
|
5 30.214388474 0.42658611262
|
||
|
|
6 12.440087567 0.26200527313
|
||
|
|
P 3
|
||
|
|
1 45.981316002 -0.20321767678E-01
|
||
|
|
2 6.9945654416 0.32013744527
|
||
|
|
3 2.9686001327 0.59051014555
|
||
|
|
P 1
|
||
|
|
1 1.2320988495 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.28981614974 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.85564606447E-01 1.0000000
|
||
|
|
D 5
|
||
|
|
1 119.44887581 0.10586544521E-01
|
||
|
|
2 35.062915293 0.69601280945E-01
|
||
|
|
3 12.636924529 0.22807035287
|
||
|
|
4 4.8888672922 0.40301067220
|
||
|
|
5 1.8453195392 0.41304847015
|
||
|
|
D 1
|
||
|
|
1 0.63571158892 .19639209740
|
||
|
|
D 1
|
||
|
|
1 0.35492132 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.13155709 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.36210645 1.0000000
|
||
|
|
|
||
|
|
ARSENIC
|
||
|
|
S 8
|
||
|
|
1 498032.4215800 0.22740196900E-03
|
||
|
|
2 74656.8687430 0.17632816413E-02
|
||
|
|
3 16990.9600040 0.91728040381E-02
|
||
|
|
4 4809.6200321 0.37337829344E-01
|
||
|
|
5 1566.2887055 0.12199536117
|
||
|
|
6 563.21360499 0.29137475324
|
||
|
|
7 219.11179978 0.42326351479
|
||
|
|
8 86.866061030 0.22921464278
|
||
|
|
S 4
|
||
|
|
1 538.19512479 -0.25254197297E-01
|
||
|
|
2 167.14850224 -0.11915461115
|
||
|
|
3 27.605517159 0.54628495980
|
||
|
|
4 11.947858521 0.53001520976
|
||
|
|
S 2
|
||
|
|
1 18.538023133 -0.23479188136
|
||
|
|
2 3.2018985739 0.69167053428
|
||
|
|
S 1
|
||
|
|
1 1.4356522077 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.31837805200 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.11622632186 1.0000000
|
||
|
|
P 6
|
||
|
|
1 2678.9421546 0.23318955287E-02
|
||
|
|
2 634.61765840 0.19042149977E-01
|
||
|
|
3 203.93967606 0.90229744913E-01
|
||
|
|
4 76.323890369 0.26169037693
|
||
|
|
5 30.664124943 0.41857168155
|
||
|
|
6 12.505056732 0.23447830190
|
||
|
|
P 4
|
||
|
|
1 49.256229549 -0.21235539870E-01
|
||
|
|
2 7.7274891466 0.30470206668
|
||
|
|
3 3.5410493476 0.52888373107
|
||
|
|
4 1.6985585501 0.37272250955
|
||
|
|
P 1
|
||
|
|
1 0.76848071044 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.30050823260 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.98190639437E-01 1.0000000
|
||
|
|
D 5
|
||
|
|
1 135.33289305 0.99291144106E-02
|
||
|
|
2 39.860212744 0.66568843496E-01
|
||
|
|
3 14.446428359 0.22275768307
|
||
|
|
4 5.6432900356 0.40309224382
|
||
|
|
5 2.1668188623 0.41671667946
|
||
|
|
D 1
|
||
|
|
1 0.76514970569 .18935502288
|
||
|
|
D 1
|
||
|
|
1 0.42434653 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.16331527 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.43271941 1.0000000
|
||
|
|
|
||
|
|
SELENIUM
|
||
|
|
S 8
|
||
|
|
1 531071.6669600 0.24108973168E-03
|
||
|
|
2 79603.0441170 0.18696431441E-02
|
||
|
|
3 18115.8442400 0.97271616536E-02
|
||
|
|
4 5127.8923194 0.39604793031E-01
|
||
|
|
5 1669.9130839 0.12948855136
|
||
|
|
6 600.57534527 0.30959437289
|
||
|
|
7 233.70021247 0.45115769216
|
||
|
|
8 92.672443932 0.24579189033
|
||
|
|
S 4
|
||
|
|
1 571.57513675 -0.26895707881E-01
|
||
|
|
2 177.63686375 -0.12670989353
|
||
|
|
3 29.517767052 0.57699001719
|
||
|
|
4 12.824399795 0.56369075408
|
||
|
|
S 2
|
||
|
|
1 19.848235841 -0.25132415534
|
||
|
|
2 3.4744018486 0.72905416980
|
||
|
|
S 1
|
||
|
|
1 1.5988910849 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.38333469387 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.14049742459 1.0000000
|
||
|
|
P 6
|
||
|
|
1 2815.3500566 0.25569026854E-02
|
||
|
|
2 666.92558298 0.20874026901E-01
|
||
|
|
3 214.34213188 0.98772096250E-01
|
||
|
|
4 80.246687942 0.28471821221
|
||
|
|
5 32.251081288 0.45003584934
|
||
|
|
6 13.106432562 0.24416091055
|
||
|
|
P 4
|
||
|
|
1 53.366108516 -0.21558456273E-01
|
||
|
|
2 8.1827777195 0.32662310638
|
||
|
|
3 3.6239945672 0.57740499319
|
||
|
|
4 1.6341591401 0.34301320826
|
||
|
|
P 1
|
||
|
|
1 0.58418320228 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.23966269279 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.88785134803E-01 1.0000000
|
||
|
|
D 5
|
||
|
|
1 151.82910279 0.93970276988E-02
|
||
|
|
2 44.839992523 0.64086503991E-01
|
||
|
|
3 16.328999510 0.21834238004
|
||
|
|
4 6.4305057612 0.40314789649
|
||
|
|
5 2.5048025169 0.41966491490
|
||
|
|
D 1
|
||
|
|
1 0.90271148434 .18366663432
|
||
|
|
D 1
|
||
|
|
1 0.47683613 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.18535160 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.48866905 1.0000000
|
||
|
|
|
||
|
|
BROMINE
|
||
|
|
S 8
|
||
|
|
1 565073.2525600 0.23660314690E-03
|
||
|
|
2 84701.7231790 0.18348332508E-02
|
||
|
|
3 19276.2719000 0.95465849860E-02
|
||
|
|
4 5456.4284576 0.38877142153E-01
|
||
|
|
5 1776.9503500 0.12718314231
|
||
|
|
6 639.19398276 0.30437662191
|
||
|
|
7 248.78823961 0.44490940497
|
||
|
|
8 98.678305494 0.24381643058
|
||
|
|
S 4
|
||
|
|
1 606.07824568 -0.26527158709E-01
|
||
|
|
2 188.45598484 -0.12484584809
|
||
|
|
3 31.497144506 0.56468683559
|
||
|
|
4 13.736008320 0.55555268564
|
||
|
|
S 2
|
||
|
|
1 21.203212766 -0.24940920493
|
||
|
|
2 3.7616420178 0.71213119743
|
||
|
|
S 1
|
||
|
|
1 1.7735933962 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.45197413664 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.16613377099 1.0000000
|
||
|
|
P 6
|
||
|
|
1 3019.6955723 0.24971049798E-02
|
||
|
|
2 715.35481126 0.20419267596E-01
|
||
|
|
3 229.98328751 0.96897148309E-01
|
||
|
|
4 86.167844615 0.28053901252
|
||
|
|
5 34.667870802 0.44606390473
|
||
|
|
6 14.113870307 0.24410073923
|
||
|
|
P 4
|
||
|
|
1 57.085653082 -0.21855950710E-01
|
||
|
|
2 8.8193845840 0.32707075320
|
||
|
|
3 3.9340302872 0.57855229520
|
||
|
|
4 1.7998830384 0.33570987698
|
||
|
|
P 1
|
||
|
|
1 0.66899410512 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.27136238231 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.10083790243 1.0000000
|
||
|
|
D 5
|
||
|
|
1 168.85370257 0.89663981988E-02
|
||
|
|
2 49.977949919 0.62062059316E-01
|
||
|
|
3 18.274913338 0.21474732384
|
||
|
|
4 7.2455694631 0.40335336746
|
||
|
|
5 2.8562315025 0.42208813080
|
||
|
|
D 1
|
||
|
|
1 1.0459621144 .17874813267
|
||
|
|
D 1
|
||
|
|
1 0.56865655 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.22031490 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.57083312 1.0000000
|
||
|
|
|
||
|
|
KRYPTON
|
||
|
|
S 8
|
||
|
|
1 600250.9757500 0.23740610399E-03
|
||
|
|
2 89976.6507810 0.18410240539E-02
|
||
|
|
3 20476.8142250 0.95795580699E-02
|
||
|
|
4 5796.1554078 0.39020650488E-01
|
||
|
|
5 1887.5913196 0.12772645628
|
||
|
|
6 679.11458519 0.30596521300
|
||
|
|
7 264.38244511 0.44857474437
|
||
|
|
8 104.88368574 0.24722957327
|
||
|
|
S 4
|
||
|
|
1 641.47370764 -0.26745279805E-01
|
||
|
|
2 199.57524820 -0.12571122567
|
||
|
|
3 33.545462954 0.56483736390
|
||
|
|
4 14.683955144 0.55972765539
|
||
|
|
S 2
|
||
|
|
1 22.603101860 -0.25298771800
|
||
|
|
2 4.0650682991 0.70992159965
|
||
|
|
S 1
|
||
|
|
1 1.9611027060 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.52465147979 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.19332399511 1.0000000
|
||
|
|
P 6
|
||
|
|
1 3232.9589614 0.24885607974E-02
|
||
|
|
2 765.96442694 0.20379007428E-01
|
||
|
|
3 246.33940810 0.96977188584E-01
|
||
|
|
4 92.365283041 0.28199960954
|
||
|
|
5 37.199509551 0.45116254358
|
||
|
|
6 15.172166534 0.24917131496
|
||
|
|
P 4
|
||
|
|
1 60.931321698 -0.22173603519E-01
|
||
|
|
2 9.4792600646 0.32838462778
|
||
|
|
3 4.2564686326 0.58124997120
|
||
|
|
4 1.9729313762 0.32863541783
|
||
|
|
P 1
|
||
|
|
1 0.76337108716 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.30943625526 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11569704458 1.0000000
|
||
|
|
D 5
|
||
|
|
1 186.41760904 0.86120284601E-02
|
||
|
|
2 55.274124345 0.60394406304E-01
|
||
|
|
3 20.283219120 0.21181331869
|
||
|
|
4 8.0884536976 0.40366293413
|
||
|
|
5 3.2214033853 0.42402860686
|
||
|
|
D 1
|
||
|
|
1 1.1952170102 .17441742274
|
||
|
|
D 1
|
||
|
|
1 0.6480000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2510000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6280000 1.0000000
|
||
|
|
|
||
|
|
RUBIDIUM
|
||
|
|
S 2
|
||
|
|
1 7.4744618040 0.26997866363
|
||
|
|
2 6.7296180594 -0.42629251814
|
||
|
|
S 1
|
||
|
|
1 2.7816640004 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.53452175148 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.22368793034 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.32410407052E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.14171047424E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 5.6720643194 0.48114224135E-01
|
||
|
|
2 3.3320183956 -0.18485131426
|
||
|
|
3 0.80150054910 0.42811864954
|
||
|
|
4 0.36302220227 0.58673165411
|
||
|
|
P 1
|
||
|
|
1 0.15733924392 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.40000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.16000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.25907866956 0.76806746340E-01
|
||
|
|
D 1
|
||
|
|
1 0.42507438045E-01 0.37846160487
|
||
|
|
D 1
|
||
|
|
1 0.11909276840E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8524500 1.0000000
|
||
|
|
|
||
|
|
STRONTIUM
|
||
|
|
S 2
|
||
|
|
1 10.000000000 -0.18530550262
|
||
|
|
2 8.5000000000 0.33970355376
|
||
|
|
S 1
|
||
|
|
1 3.0057048856 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.61161287650 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.27393841217 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.57435564563E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.23338198665E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 7.5883077869 0.33731690287E-01
|
||
|
|
2 3.6731307392 -0.20523185005
|
||
|
|
3 0.90496618455 0.49209972665
|
||
|
|
4 0.43310256408 0.62105296512
|
||
|
|
P 1
|
||
|
|
1 0.20222168964 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.72000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.25000000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 3.6180810000 -0.75010000000E-02
|
||
|
|
2 0.99665600000 0.10809800000
|
||
|
|
3 0.39073500000 0.27854000000
|
||
|
|
D 1
|
||
|
|
1 0.12277000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.36655000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9954000 1.0000000
|
||
|
|
|
||
|
|
YTTRIUM
|
||
|
|
S 2
|
||
|
|
1 10.000000000 -0.17487686796
|
||
|
|
2 8.5000000000 0.34152345084
|
||
|
|
S 1
|
||
|
|
1 3.3653905454 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.68860679385 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.31191502936 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.70326042567E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.27733859327E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 8.0554093616 0.36410978939E-01
|
||
|
|
2 4.0163458751 -0.20872572547
|
||
|
|
3 1.0232915404 0.48956929335
|
||
|
|
4 0.49843561636 0.60611943833
|
||
|
|
P 1
|
||
|
|
1 0.23307661842 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.80000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.27000000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 3.9030833060 -0.98209792625E-02
|
||
|
|
2 1.1363234302 0.19183629664
|
||
|
|
3 0.45617043877 0.40597788539
|
||
|
|
D 1
|
||
|
|
1 0.17470950748 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.61978796638E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3861100 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1076600 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.1114900 1.0000000
|
||
|
|
|
||
|
|
ZIRCONIUM
|
||
|
|
S 2
|
||
|
|
1 11.000000000 -0.19075595257
|
||
|
|
2 9.5000000000 0.33895588754
|
||
|
|
S 1
|
||
|
|
1 3.6383667759 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.76822026698 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.34036824036 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.75261298085E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.30131404705E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 8.6066305543 0.40404260236E-01
|
||
|
|
2 4.4400979958 -0.21187745201
|
||
|
|
3 1.1281026946 0.49164266891
|
||
|
|
4 0.54346076310 0.57303370658
|
||
|
|
P 1
|
||
|
|
1 0.25022406048 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.85000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.29000000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 4.5567957795 -0.96190569023E-02
|
||
|
|
2 1.2904939797 0.20569990155
|
||
|
|
3 0.51646987222 0.41831381851
|
||
|
|
D 1
|
||
|
|
1 0.19349797794 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.67309809967E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6532200 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1829300 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2898900 1.0000000
|
||
|
|
|
||
|
|
NIOBIUM
|
||
|
|
S 2
|
||
|
|
1 12.000000000 -0.20219507530
|
||
|
|
2 10.500000000 0.33640105939
|
||
|
|
S 1
|
||
|
|
1 3.9276062854 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.85976543258 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.39074087505 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.86387259879E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.32906200326E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 9.2056285646 0.43347689874E-01
|
||
|
|
2 4.8679632125 -0.21302479233
|
||
|
|
3 1.2442155792 0.48102127136
|
||
|
|
4 0.60390590312 0.53917858960
|
||
|
|
P 1
|
||
|
|
1 0.27967675553 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.90000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.30000000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 4.6170975867 -0.13574476955E-01
|
||
|
|
2 1.5663438480 0.20374310496
|
||
|
|
3 0.66952425826 0.42997453105
|
||
|
|
D 1
|
||
|
|
1 0.27140946867 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10054426592 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9180100 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2582000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.4682900 1.0000000
|
||
|
|
|
||
|
|
MOLYBDENUM
|
||
|
|
S 2
|
||
|
|
1 14.000000000 -0.22490043406
|
||
|
|
2 12.500000000 0.33151248555
|
||
|
|
S 1
|
||
|
|
1 4.0921501803 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.97053602586 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.44217620170 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.92915024334E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.35016314389E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 8.8931117915 0.69994449475E-01
|
||
|
|
2 5.4689112270 -0.23547141883
|
||
|
|
3 1.3548473007 0.46315460007
|
||
|
|
4 0.65494867461 0.48820184710
|
||
|
|
P 1
|
||
|
|
1 0.30428197472 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.10000000000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.33000000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 5.0044445497 -0.21587364862E-01
|
||
|
|
2 1.7736823324 0.20958680086
|
||
|
|
3 0.76950591696 0.43730880599
|
||
|
|
D 1
|
||
|
|
1 0.31530878939 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.11754374390 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.1805100 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3334800 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6467000 1.0000000
|
||
|
|
|
||
|
|
TECHNETIUM
|
||
|
|
S 2
|
||
|
|
1 15.000000000 -0.19945408941
|
||
|
|
2 12.910581694 0.33689922245
|
||
|
|
S 1
|
||
|
|
1 4.4493321158 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.0548409451 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.47909677246 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.99124162989E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.36882799789E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 10.027138011 0.61481602710E-01
|
||
|
|
2 5.8463419741 -0.23600729385
|
||
|
|
3 1.4968345491 0.47746483995
|
||
|
|
4 0.72934632066 0.50731543496
|
||
|
|
P 1
|
||
|
|
1 0.33913558879 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11000000000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.35000000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 5.0906268699 -0.32176405405E-01
|
||
|
|
2 2.0156178510 0.21280802536
|
||
|
|
3 0.88113887240 0.44403309175
|
||
|
|
D 1
|
||
|
|
1 0.36427094833 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.13678402297 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.4406400 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4087500 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.8251000 1.0000000
|
||
|
|
|
||
|
|
RUTHENIUM
|
||
|
|
S 2
|
||
|
|
1 16.000000000 -0.20634002919
|
||
|
|
2 13.910581694 0.33550437725
|
||
|
|
S 1
|
||
|
|
1 4.7967971407 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.1555425594 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.52455741182 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10734572646 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.39432760192E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 11.187208671 0.53225073263E-01
|
||
|
|
2 6.2477688734 -0.22731662050
|
||
|
|
3 1.6279472859 0.47869486056
|
||
|
|
4 0.79326493538 0.50213311567
|
||
|
|
P 1
|
||
|
|
1 0.36707276865 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11500000000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.37000000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 5.7341846619 -0.35266111560E-01
|
||
|
|
2 2.2483686294 0.21802502222
|
||
|
|
3 0.98376978359 0.44709565013
|
||
|
|
D 1
|
||
|
|
1 0.40379445583 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.14978618173 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.7077900 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4844200 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.0093000 1.0000000
|
||
|
|
|
||
|
|
RHODIUM
|
||
|
|
S 2
|
||
|
|
1 17.000000000 -0.16690803139
|
||
|
|
2 13.910581694 0.34235001652
|
||
|
|
S 1
|
||
|
|
1 5.2481265288 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.2262575928 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.53930216349 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10130730377 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.37124139005E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 11.767103631 0.59494859388E-01
|
||
|
|
2 6.7485133083 -0.23735853477
|
||
|
|
3 1.7502679834 0.49019334303
|
||
|
|
4 0.84321166133 0.50623933751
|
||
|
|
P 1
|
||
|
|
1 0.38295544759 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11500000000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.37000000000E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 19.857830136 0.66960778187E-02
|
||
|
|
2 10.061378139 -0.21981738213E-01
|
||
|
|
3 2.2619546477 0.37918706236
|
||
|
|
4 0.97098845035 0.67289976592
|
||
|
|
D 1
|
||
|
|
1 0.38391195297 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.13537026904 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.9750700 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5600900 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.1935000 1.0000000
|
||
|
|
|
||
|
|
PALLADIUM
|
||
|
|
S 2
|
||
|
|
1 18.000000000 -0.16605388598
|
||
|
|
2 14.662134308 0.34899955055
|
||
|
|
S 1
|
||
|
|
1 5.6388709265 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.3198953252 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.57817908509 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10352166239 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.37548442674E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 12.552899300 0.61728998206E-01
|
||
|
|
2 7.2444496380 -0.24178626753
|
||
|
|
3 1.8905941078 0.49453200915
|
||
|
|
4 0.90737168760 0.50454362626
|
||
|
|
P 1
|
||
|
|
1 0.40877210813 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11500000000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.37000000000E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 22.357457575 0.39559479546E-02
|
||
|
|
2 10.682526382 -0.14039011601E-01
|
||
|
|
3 2.4858232550 0.24219476776
|
||
|
|
4 1.0735333903 0.42580283281
|
||
|
|
D 1
|
||
|
|
1 0.42613842853 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.15046355385 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.2424600 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6357500 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.3777000 1.0000000
|
||
|
|
|
||
|
|
SILVER
|
||
|
|
S 2
|
||
|
|
1 19.000000000 -0.16600104141
|
||
|
|
2 15.428199933 0.35665095918
|
||
|
|
S 1
|
||
|
|
1 6.0553507268 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.4162368935 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.61758635858 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10474197431 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.37685106264E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 13.188180180 0.66928737147E-01
|
||
|
|
2 7.7952789138 -0.24735235409
|
||
|
|
3 2.0351571912 0.49154280216
|
||
|
|
4 0.98093914842 0.49741609006
|
||
|
|
P 1
|
||
|
|
1 0.44451179958 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.13000000000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.41200000000E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 25.784397351 0.35645063082E-02
|
||
|
|
2 11.396636755 -0.12984262784E-01
|
||
|
|
3 2.7345581361 0.24108826548
|
||
|
|
4 1.1873583605 0.42412330744
|
||
|
|
D 1
|
||
|
|
1 0.47316910566 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.16746017986 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.5100300 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.7114200 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.5619000 1.0000000
|
||
|
|
|
||
|
|
CADMIUM
|
||
|
|
S 2
|
||
|
|
1 20.000000000 -0.17401196927
|
||
|
|
2 16.309051661 0.37137277194
|
||
|
|
S 1
|
||
|
|
1 6.4512709901 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.5350047390 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.68983631523 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.13475720977 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.47416874527E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 14.000681404 0.69333062793E-01
|
||
|
|
2 8.3094019872 -0.25420103681
|
||
|
|
3 2.2020058122 0.49200980368
|
||
|
|
4 1.0779246137 0.49702118131
|
||
|
|
P 1
|
||
|
|
1 0.50111879846 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.16000000000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.51600000000E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 30.380789793 0.32545123835E-02
|
||
|
|
2 11.474551578 -0.14212074843E-01
|
||
|
|
3 3.0507394903 0.24961756436
|
||
|
|
4 1.3622028524 0.44905635176
|
||
|
|
D 1
|
||
|
|
1 0.56399409888 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.20916686535 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.8400100 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8204800 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.7896000 1.0000000
|
||
|
|
|
||
|
|
INDIUM
|
||
|
|
S 4
|
||
|
|
1 847.79276774 0.12432052471E-03
|
||
|
|
2 72.041054824 0.23600367607E-02
|
||
|
|
3 41.061316522 -0.85588299453E-02
|
||
|
|
4 12.407609713 0.62952032489
|
||
|
|
S 2
|
||
|
|
1 11.640316941 1.5543429200
|
||
|
|
2 6.3695642727 0.67492488361
|
||
|
|
S 1
|
||
|
|
1 1.7063236353 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.78666967936 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.16965196873 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.62074858667E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 268.28136685 0.11542193636E-03
|
||
|
|
2 14.781553782 0.77779830292E-01
|
||
|
|
3 8.8041476194 -0.28332389472
|
||
|
|
P 3
|
||
|
|
1 2.3717277227 0.47896111744
|
||
|
|
2 1.1927065422 0.48293819961
|
||
|
|
3 0.58352812041 0.16843883728
|
||
|
|
P 1
|
||
|
|
1 0.23280968310 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.88674065208E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.33598828267E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 94.282575063 0.43652729696E-03
|
||
|
|
2 19.716431102 0.63918753088
|
||
|
|
3 19.600106824 -0.64663115577
|
||
|
|
4 3.5643186737 0.21187579614
|
||
|
|
5 1.7017801400 0.42129321741
|
||
|
|
6 0.76456615531 0.38418127707
|
||
|
|
D 1
|
||
|
|
1 0.31826765584 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.26415991 1.0000000
|
||
|
|
|
||
|
|
TIN
|
||
|
|
S 4
|
||
|
|
1 1577.0715931 0.17042767713E-03
|
||
|
|
2 235.26601078 0.81467057272E-03
|
||
|
|
3 38.206330645 -0.39057904293E-02
|
||
|
|
4 13.097031765 0.53245922343
|
||
|
|
S 2
|
||
|
|
1 11.681492759 1.5435287275
|
||
|
|
2 5.9647604361 0.76421510041
|
||
|
|
S 1
|
||
|
|
1 1.8891070740 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.88514080630 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.20500105152 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.76748551032E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 221.55767496 0.31125177983E-03
|
||
|
|
2 21.084021433 0.31108097016E-01
|
||
|
|
3 8.7600138521 -0.27571560918
|
||
|
|
P 3
|
||
|
|
1 2.5912909722 0.45912328666
|
||
|
|
2 1.3426801157 0.49682867217
|
||
|
|
3 0.67732735829 0.18962377821
|
||
|
|
P 1
|
||
|
|
1 0.29418756752 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11863762052 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.46215750632E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 108.33210154 0.46561853277E-03
|
||
|
|
2 23.703936630 0.54063163067E-01
|
||
|
|
3 22.339843906 -0.58928768877E-01
|
||
|
|
4 4.0874834028 0.19588500896
|
||
|
|
5 1.9737354146 0.42301799185
|
||
|
|
6 0.90158257692 0.39252716176
|
||
|
|
D 1
|
||
|
|
1 0.38237153649 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.12000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.0000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2939284850 1.0000000
|
||
|
|
|
||
|
|
ANTIMONY
|
||
|
|
S 4
|
||
|
|
1 1612.4199933 0.28540380783E-03
|
||
|
|
2 238.84452097 0.13393778746E-02
|
||
|
|
3 23.998118809 -0.49388154574E-01
|
||
|
|
4 15.193124213 0.43392227254
|
||
|
|
S 2
|
||
|
|
1 11.736409733 0.92125519965
|
||
|
|
2 6.5259774794 0.79235280226
|
||
|
|
S 1
|
||
|
|
1 2.0247451872 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.97113418587 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.24254333998 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.92206608177E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 215.68393354 0.26051823221E-03
|
||
|
|
2 16.374479088 0.73728000195E-01
|
||
|
|
3 9.7216283345 -0.27230028128
|
||
|
|
P 3
|
||
|
|
1 2.7982643154 0.46472692374
|
||
|
|
2 1.4711045033 0.50364242075
|
||
|
|
3 0.75165385301 0.18706666294
|
||
|
|
P 1
|
||
|
|
1 0.33168699849 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.13931606366 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.56399307526E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 115.90312253 0.53140915051E-03
|
||
|
|
2 30.474233720 0.59411139166E-02
|
||
|
|
3 18.228418239 -0.10563706947E-01
|
||
|
|
4 4.3291456646 0.20348177341
|
||
|
|
5 2.1294818496 0.42748378928
|
||
|
|
6 0.99682636692 0.38539560809
|
||
|
|
D 1
|
||
|
|
1 0.43347239863 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.14000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.1000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.32369706 1.0000000
|
||
|
|
|
||
|
|
TELLURIUM
|
||
|
|
S 5
|
||
|
|
1 6213.2001650 0.17392073280E-03
|
||
|
|
2 920.89640017 0.11933589842E-02
|
||
|
|
3 199.28042708 0.36256556777E-02
|
||
|
|
4 24.774233098 -0.59791033012E-01
|
||
|
|
5 14.838199169 0.95943203263
|
||
|
|
S 2
|
||
|
|
1 12.278761954 0.75942429936
|
||
|
|
2 6.3807845532 0.35331689542
|
||
|
|
S 1
|
||
|
|
1 2.2228405205 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.0776043442 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.28136649025 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10781573341 1.0000000
|
||
|
|
P 3
|
||
|
|
1 204.29400852 0.40605406751E-03
|
||
|
|
2 18.208759358 0.60255451613E-01
|
||
|
|
3 9.9211024302 -0.27491671277
|
||
|
|
P 3
|
||
|
|
1 3.1441528685 0.43154849974
|
||
|
|
2 1.7220884031 0.55403079110
|
||
|
|
3 0.89098945714 0.24087311227
|
||
|
|
P 1
|
||
|
|
1 0.39804719568 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.16538785242 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.65082695586E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 121.51055249 0.63490629024E-03
|
||
|
|
2 32.968794396 0.61811936324E-02
|
||
|
|
3 19.249862451 -0.88929825218E-02
|
||
|
|
4 4.7198407254 0.20159884764
|
||
|
|
5 2.3428061416 0.42976049013
|
||
|
|
6 1.1135379412 0.38247126751
|
||
|
|
D 1
|
||
|
|
1 0.49200061510 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.16000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.8500000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.38255757 1.0000000
|
||
|
|
|
||
|
|
IODINE
|
||
|
|
S 5
|
||
|
|
1 5899.5791533 0.24188269271E-03
|
||
|
|
2 898.54238765 0.15474041742E-02
|
||
|
|
3 200.37237912 0.42836684457E-02
|
||
|
|
4 31.418053840 -0.39417936275E-01
|
||
|
|
5 15.645987838 0.96086691992
|
||
|
|
S 2
|
||
|
|
1 11.815741857 0.75961524091
|
||
|
|
2 6.4614458287 0.42495501835
|
||
|
|
S 1
|
||
|
|
1 2.3838067579 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.1712089662 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.32115875757 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.12387919364 1.0000000
|
||
|
|
P 4
|
||
|
|
1 12.984316904 -0.49096186164E-01
|
||
|
|
2 3.6199503008 0.38914432482
|
||
|
|
3 2.0232273090 0.65610817262
|
||
|
|
4 1.0367490559 0.31803551647
|
||
|
|
P 3
|
||
|
|
1 197.30030547 0.73951226905E-03
|
||
|
|
2 20.061411349 0.66168450008E-01
|
||
|
|
3 9.7631460485 -0.28554662348
|
||
|
|
P 1
|
||
|
|
1 0.45937816000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.19116532928 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.74878813023E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 119.12671745 0.82596039573E-03
|
||
|
|
2 33.404240134 0.68377675770E-02
|
||
|
|
3 17.805918203 -0.10308158997E-01
|
||
|
|
4 4.8990510353 0.22670457658
|
||
|
|
5 2.4516753106 0.44180113937
|
||
|
|
6 1.1820693432 0.36775472225
|
||
|
|
D 1
|
||
|
|
1 0.52923110068 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.17000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.1800000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.44141808 1.0000000
|
||
|
|
|
||
|
|
XENON
|
||
|
|
S 5
|
||
|
|
1 6420.2481656 0.25092173886E-03
|
||
|
|
2 983.54530664 0.16251948178E-02
|
||
|
|
3 219.43881364 0.46037106451E-02
|
||
|
|
4 23.012587807 -0.14698707182
|
||
|
|
5 18.048324490 0.57524870348
|
||
|
|
S 2
|
||
|
|
1 11.752550163 0.66038420156
|
||
|
|
2 6.2390917199 0.38470524721
|
||
|
|
S 1
|
||
|
|
1 2.6257211320 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.2905042943 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.36204185060 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.14069888091 1.0000000
|
||
|
|
P 4
|
||
|
|
1 13.960683826 -0.50950157807E-01
|
||
|
|
2 4.0928947097 0.36669211800
|
||
|
|
3 2.2546815460 0.72619456861
|
||
|
|
4 1.1546596184 0.35555871740
|
||
|
|
P 3
|
||
|
|
1 193.81432545 0.95394802497E-03
|
||
|
|
2 21.725228086 0.57393353332E-01
|
||
|
|
3 9.8891605641 -0.27974266640
|
||
|
|
P 1
|
||
|
|
1 0.52321923128 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.21945569800 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.86158996836E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 135.60300038 0.81873543290E-03
|
||
|
|
2 38.727062692 0.60897654151E-02
|
||
|
|
3 15.377328089 -0.92782985596E-02
|
||
|
|
4 5.2602537686 0.22890785589
|
||
|
|
5 2.6590627424 0.44434407051
|
||
|
|
6 1.2938205124 0.36029482992
|
||
|
|
D 1
|
||
|
|
1 0.58050830139 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.18000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.5000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.49652793 1.0000000
|
||
|
|
|
||
|
|
CESIUM
|
||
|
|
S 3
|
||
|
|
1 5.8778113443 0.12859994983
|
||
|
|
2 4.3631538286 -0.34632569725
|
||
|
|
3 1.8048475155 0.69930637051
|
||
|
|
S 1
|
||
|
|
1 0.37485237136 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.16384858778 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.27230462048E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.11991533212E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 4.2751856154 0.45723074174E-01
|
||
|
|
2 1.9656663360 -0.25019961976
|
||
|
|
3 0.47689195212 0.55660850066
|
||
|
|
4 0.21529749588 0.58218553406
|
||
|
|
P 1
|
||
|
|
1 0.91450850296E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.17592078473E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.27941471548 0.15040680034
|
||
|
|
D 1
|
||
|
|
1 0.62419809739E-01 0.36150912942
|
||
|
|
D 1
|
||
|
|
1 0.15987870156E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5877700 1.0000000
|
||
|
|
|
||
|
|
BARIUM
|
||
|
|
S 2
|
||
|
|
1 6.0000000000 -0.56587174838
|
||
|
|
2 4.9822082226 0.97514768535
|
||
|
|
S 1
|
||
|
|
1 2.1451943914 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.41486174100 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.19214757016 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.48465890337E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.20138298948E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 5.5000000000 -0.44586312998
|
||
|
|
2 4.9017938336 0.67755479813
|
||
|
|
3 2.6142685062 -0.46010554954
|
||
|
|
4 0.47903394983 0.68749608021
|
||
|
|
P 1
|
||
|
|
1 0.19415138747 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.34917622027E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.16320065666E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.96631500000 -0.90893800000
|
||
|
|
2 0.89382800000 0.94724000000
|
||
|
|
3 0.27319500000 0.32205700000
|
||
|
|
D 1
|
||
|
|
1 0.10389100000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.35578000000E-01 1.0000000
|
||
|
|
F 4
|
||
|
|
1 10.00 0.073
|
||
|
|
2 3.20 0.210
|
||
|
|
3 1.00 0.350
|
||
|
|
4 0.32 0.360
|
||
|
|
|
||
|
|
LANTHANUM
|
||
|
|
S 2
|
||
|
|
1 5.0873990000 -0.44174952534
|
||
|
|
2 4.2709780000 0.85812466843
|
||
|
|
S 1
|
||
|
|
1 2.1823656045 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.48966533785 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.23301675348 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.55719523051E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.22854708808E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 6.0000000000 -0.11397960924E-01
|
||
|
|
2 3.6808191615 0.14675038550
|
||
|
|
3 2.3265462081 -0.35581819167
|
||
|
|
4 0.64342629633 0.45834955229
|
||
|
|
P 1
|
||
|
|
1 0.33584281962 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.16519051916 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.354E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 1.2675288018 -0.17569274035
|
||
|
|
2 0.89395340284 0.25139922933
|
||
|
|
3 0.33095767339 0.44603267053
|
||
|
|
D 1
|
||
|
|
1 0.13461377501 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.51441629839E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3894100 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1204300 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.1790700 1.0000000
|
||
|
|
|
||
|
|
CERIUM
|
||
|
|
S 5
|
||
|
|
1 66920.681000 0.50000000000E-05
|
||
|
|
2 7142.4190000 0.62000000000E-04
|
||
|
|
3 1149.2279000 0.40800000000E-03
|
||
|
|
4 626.04740000 0.80000000000E-04
|
||
|
|
5 137.28130000 0.35590000000E-02
|
||
|
|
S 1
|
||
|
|
1 36.643400000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 25.974200000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 11.885900000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.0284000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.5664000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.59370000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.26300000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.49000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.20700000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1540.6142012 -0.26957183646E-04
|
||
|
|
2 327.03620501 -0.28472254334E-03
|
||
|
|
3 109.60350154 -0.32344795159E-03
|
||
|
|
4 21.538843756 -0.70680313025E-01
|
||
|
|
5 13.193872708 0.24804039000
|
||
|
|
6 3.0269443306 -0.25859425000
|
||
|
|
P 3
|
||
|
|
1 6.4369463859 -0.10809501000
|
||
|
|
2 3.8798398182 -0.23803318999
|
||
|
|
3 1.9048218166 -0.19736029000
|
||
|
|
P 1
|
||
|
|
1 1.3440027231 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.75170989085 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.33582028579 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.13679455578 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.34898392874E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 367.71570000 0.12000000000E-03
|
||
|
|
2 109.87980000 0.99100000000E-03
|
||
|
|
3 36.021100000 0.77780000000E-02
|
||
|
|
4 14.763700000 -0.62958000000E-01
|
||
|
|
5 7.3281000000 0.18034200000
|
||
|
|
6 3.9441000000 0.43252900000
|
||
|
|
D 1
|
||
|
|
1 2.0202000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.96490000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.32730000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10320000000 1.0000000
|
||
|
|
F 5
|
||
|
|
1 123.48210000 0.15660000000E-02
|
||
|
|
2 43.988100000 0.18101000000E-01
|
||
|
|
3 19.451800000 0.76157000000E-01
|
||
|
|
4 8.6013000000 0.19268300000
|
||
|
|
5 3.8049000000 0.32433200000
|
||
|
|
F 1
|
||
|
|
1 1.6176000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.63640000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.21640000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 9.2034200000 0.39630000000E-01
|
||
|
|
2 1.7897200000 0.38604000000
|
||
|
|
G 1
|
||
|
|
1 0.37110000000 1.0000000
|
||
|
|
|
||
|
|
PRASEODYMIUM
|
||
|
|
S 5
|
||
|
|
1 66920.681000 0.80000000000E-05
|
||
|
|
2 10906.625000 0.50000000000E-04
|
||
|
|
3 2635.4147000 0.24300000000E-03
|
||
|
|
4 713.90510000 0.87600000000E-03
|
||
|
|
5 140.01390000 0.41760000000E-02
|
||
|
|
S 1
|
||
|
|
1 38.128000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 26.985500000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 12.495900000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.1878000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.6451000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.61850000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.27310000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.50600000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.21200000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1542.4277530 -0.39138546304E-04
|
||
|
|
2 334.96907623 -0.39055170334E-03
|
||
|
|
3 109.62343240 -0.89406456462E-03
|
||
|
|
4 22.183078862 -0.70604726802E-01
|
||
|
|
5 13.658163200 0.24747588569
|
||
|
|
6 3.0331953705 -0.25776259936
|
||
|
|
P 3
|
||
|
|
1 6.6047433884 -0.10834093438
|
||
|
|
2 3.9695549710 -0.24027465924
|
||
|
|
3 1.8876075409 -0.19718069819
|
||
|
|
P 1
|
||
|
|
1 1.1574042008 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.70703662269 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.32376482703 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.13270288477 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.35682474433E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 355.96150000 0.19300000000E-03
|
||
|
|
2 107.14140000 0.15450000000E-02
|
||
|
|
3 37.556200000 0.90040000000E-02
|
||
|
|
4 15.085900000 -0.47296000000E-01
|
||
|
|
5 7.3832000000 0.20233700000
|
||
|
|
6 3.9795000000 0.43537400000
|
||
|
|
D 1
|
||
|
|
1 2.0469000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.97940000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.32960000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10260000000 1.0000000
|
||
|
|
F 5
|
||
|
|
1 124.50830000 0.18850000000E-02
|
||
|
|
2 44.583700000 0.20949000000E-01
|
||
|
|
3 19.873100000 0.85208000000E-01
|
||
|
|
4 8.9102000000 0.20531200000
|
||
|
|
5 3.9977000000 0.33340300000
|
||
|
|
F 1
|
||
|
|
1 1.7285000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.69360000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.24180000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 10.214060000 0.49090000000E-01
|
||
|
|
2 2.1188600000 0.42010000000
|
||
|
|
G 1
|
||
|
|
1 0.40953000000 1.0000000
|
||
|
|
|
||
|
|
NEODYMIUM
|
||
|
|
S 5
|
||
|
|
1 67945.590000 0.15000000000E-04
|
||
|
|
2 9404.4083000 0.12500000000E-03
|
||
|
|
3 2084.3177000 0.61000000000E-03
|
||
|
|
4 586.98950000 0.17730000000E-02
|
||
|
|
5 142.94060000 0.53920000000E-02
|
||
|
|
S 1
|
||
|
|
1 39.672200000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 28.087800000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 13.056900000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.3514000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.7247000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.64270000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.28280000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.51900000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.21700000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1541.9152978 -0.71997456535E-04
|
||
|
|
2 335.40289049 -0.58631673271E-03
|
||
|
|
3 106.74203322 -0.17009914039E-02
|
||
|
|
4 22.896710196 -0.72558322965E-01
|
||
|
|
5 14.200399316 0.24695703002
|
||
|
|
6 3.0867394424 -0.25921514998
|
||
|
|
P 3
|
||
|
|
1 6.7103596337 -0.10881330998
|
||
|
|
2 4.1550367670 -0.24076653997
|
||
|
|
3 1.9929222501 -0.19049609000
|
||
|
|
P 1
|
||
|
|
1 1.1874978721 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.65259339716 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.29362298053 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11747692376 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.32216083150E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 350.96120000 0.28200000000E-03
|
||
|
|
2 105.96210000 0.22220000000E-02
|
||
|
|
3 38.470400000 0.11016000000E-01
|
||
|
|
4 15.482600000 -0.31804000000E-01
|
||
|
|
5 7.4260000000 0.22399400000
|
||
|
|
6 3.9996000000 0.43687400000
|
||
|
|
D 1
|
||
|
|
1 2.0642000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.98980000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.33700000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10510000000 1.0000000
|
||
|
|
F 5
|
||
|
|
1 126.08450000 0.21720000000E-02
|
||
|
|
2 45.167900000 0.23585000000E-01
|
||
|
|
3 20.170000000 0.94142000000E-01
|
||
|
|
4 9.0999000000 0.21745600000
|
||
|
|
5 4.1085000000 0.33961200000
|
||
|
|
F 1
|
||
|
|
1 1.7914000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.72580000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.25620000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 10.762250000 0.68980000000E-01
|
||
|
|
2 2.2955700000 0.52592000000
|
||
|
|
G 1
|
||
|
|
1 0.43122000000 1.0000000
|
||
|
|
|
||
|
|
PROMETHIUM
|
||
|
|
S 5
|
||
|
|
1 69642.715000 0.29000000000E-04
|
||
|
|
2 10512.976000 0.21700000000E-03
|
||
|
|
3 2302.5578000 0.11360000000E-02
|
||
|
|
4 604.17620000 0.36880000000E-02
|
||
|
|
5 155.76230000 0.77630000000E-02
|
||
|
|
S 1
|
||
|
|
1 43.085200000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 27.874400000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 13.739500000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.4869000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.7860000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.66590000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.29190000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.53000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.22100000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1541.8763965 -0.97813730374E-04
|
||
|
|
2 336.04008962 -0.78060176940E-03
|
||
|
|
3 106.56623043 -0.23069377088E-02
|
||
|
|
4 23.811447991 -0.74414777977E-01
|
||
|
|
5 14.908551039 0.24496395000
|
||
|
|
6 3.1749164710 -0.26347889002
|
||
|
|
P 3
|
||
|
|
1 6.8237905134 -0.10890262000
|
||
|
|
2 4.2307930831 -0.23718578999
|
||
|
|
3 1.8619629957 -0.19281728001
|
||
|
|
P 1
|
||
|
|
1 0.97760378202 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.48131299262 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.22682633560 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.83616938506E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.29345374972E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 341.80600000 0.43500000000E-03
|
||
|
|
2 102.94180000 0.34200000000E-02
|
||
|
|
3 38.223400000 0.14991000000E-01
|
||
|
|
4 16.124600000 -0.11413000000E-01
|
||
|
|
5 7.4243000000 0.24276300000
|
||
|
|
6 4.0177000000 0.43130900000
|
||
|
|
D 1
|
||
|
|
1 2.0884000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.0041000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.34370000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10720000000 1.0000000
|
||
|
|
F 5
|
||
|
|
1 126.65160000 0.26100000000E-02
|
||
|
|
2 45.667200000 0.27331000000E-01
|
||
|
|
3 20.494900000 0.10293400000
|
||
|
|
4 9.3103000000 0.22727400000
|
||
|
|
5 4.2351000000 0.34313100000
|
||
|
|
F 1
|
||
|
|
1 1.8604000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.75850000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.26920000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 11.272420000 0.68120000000E-01
|
||
|
|
2 2.4749400000 0.45744000000
|
||
|
|
G 1
|
||
|
|
1 0.45187000000 1.0000000
|
||
|
|
|
||
|
|
SAMARIUM
|
||
|
|
S 5
|
||
|
|
1 70078.171000 0.97000000000E-04
|
||
|
|
2 10598.384000 0.73000000000E-03
|
||
|
|
3 2413.8660000 0.35230000000E-02
|
||
|
|
4 677.40310000 0.10873000000E-01
|
||
|
|
5 208.50730000 0.17824000000E-01
|
||
|
|
S 1
|
||
|
|
1 39.366300000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 27.987500000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 14.342600000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.6128000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.8452000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.68750000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.30010000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.53900000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.22400000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1545.8172951 -0.14093759837E-03
|
||
|
|
2 358.33097527 -0.10497581620E-02
|
||
|
|
3 105.41095006 -0.38047009161E-02
|
||
|
|
4 24.323692819 -0.75758384975E-01
|
||
|
|
5 15.330016786 0.24471562999
|
||
|
|
6 3.2777030287 -0.25977821004
|
||
|
|
P 3
|
||
|
|
1 7.3871345024 -0.10977915000
|
||
|
|
2 4.3824346508 -0.24311473001
|
||
|
|
3 1.9204352599 -0.18652745001
|
||
|
|
P 1
|
||
|
|
1 1.0521152834 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.50532320012 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.22745219573 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.76702408745E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.27281849214E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 398.01540000 0.43300000000E-03
|
||
|
|
2 115.54660000 0.38520000000E-02
|
||
|
|
3 41.893700000 0.17324000000E-01
|
||
|
|
4 20.774300000 0.57430000000E-02
|
||
|
|
5 7.5304000000 0.25998300000
|
||
|
|
6 4.0454000000 0.43147800000
|
||
|
|
D 1
|
||
|
|
1 2.1012000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.0105000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.34750000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10830000000 1.0000000
|
||
|
|
F 5
|
||
|
|
1 127.18630000 0.30500000000E-02
|
||
|
|
2 45.939600000 0.31145000000E-01
|
||
|
|
3 20.623400000 0.11362400000
|
||
|
|
4 9.3855000000 0.24012800000
|
||
|
|
5 4.2790000000 0.34765200000
|
||
|
|
F 1
|
||
|
|
1 1.8883000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.77480000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.27760000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 11.581390000 0.83960000000E-01
|
||
|
|
2 2.5856800000 0.49869000000
|
||
|
|
G 1
|
||
|
|
1 0.46377000000 1.0000000
|
||
|
|
|
||
|
|
EUROPIUM
|
||
|
|
S 5
|
||
|
|
1 70059.420000 0.97000000000E-04
|
||
|
|
2 10776.235000 0.70700000000E-03
|
||
|
|
3 2482.4901000 0.33620000000E-02
|
||
|
|
4 702.15260000 0.10206000000E-01
|
||
|
|
5 216.79260000 0.16597000000E-01
|
||
|
|
S 1
|
||
|
|
1 41.495000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 29.496900000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 15.030900000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.7772000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.9219000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.71310000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.30970000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.54900000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.22700000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1545.4788969 -0.21477687577E-03
|
||
|
|
2 348.79762213 -0.16803101931E-02
|
||
|
|
3 105.52943529 -0.57348847854E-02
|
||
|
|
4 25.617997454 -0.75899902959E-01
|
||
|
|
5 15.784430330 0.24468326999
|
||
|
|
6 3.3852871239 -0.26307923005
|
||
|
|
P 3
|
||
|
|
1 7.4940301111 -0.10983416002
|
||
|
|
2 4.5438093966 -0.24311706000
|
||
|
|
3 2.0144742222 -0.18613405999
|
||
|
|
P 1
|
||
|
|
1 1.1083886524 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.51142648878 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.22561415288 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.76000181463E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.27117030486E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 389.08410000 0.53400000000E-03
|
||
|
|
2 117.76020000 0.42580000000E-02
|
||
|
|
3 44.986900000 0.17160000000E-01
|
||
|
|
4 22.859900000 0.12427000000E-01
|
||
|
|
5 7.8331000000 0.27041600000
|
||
|
|
6 4.1134000000 0.44527200000
|
||
|
|
D 1
|
||
|
|
1 2.0999000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.0043000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.34220000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10510000000 1.0000000
|
||
|
|
F 5
|
||
|
|
1 128.23410000 0.34240000000E-02
|
||
|
|
2 46.268500000 0.34313000000E-01
|
||
|
|
3 20.736600000 0.12319400000
|
||
|
|
4 9.4479000000 0.25182400000
|
||
|
|
5 4.3149000000 0.35129200000
|
||
|
|
F 1
|
||
|
|
1 1.9121000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.78970000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.28590000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 11.831450000 0.12558000000
|
||
|
|
2 2.6806700000 0.66709000000
|
||
|
|
G 1
|
||
|
|
1 0.47516000000 1.0000000
|
||
|
|
|
||
|
|
GADOLINIUM
|
||
|
|
S 5
|
||
|
|
1 70672.982000 0.13500000000E-03
|
||
|
|
2 10580.420000 0.10060000000E-02
|
||
|
|
3 2467.2196000 0.46050000000E-02
|
||
|
|
4 710.30550000 0.13577000000E-01
|
||
|
|
5 223.69340000 0.20915000000E-01
|
||
|
|
S 1
|
||
|
|
1 42.884500000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 30.595200000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 15.792300000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.9598000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.0077000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.74940000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.32410000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.57800000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.23700000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1547.5176828 -0.27484377768E-03
|
||
|
|
2 341.04355363 -0.22027518871E-02
|
||
|
|
3 100.44808811 -0.74993330072E-02
|
||
|
|
4 25.638724200 -0.75632911948E-01
|
||
|
|
5 15.897630316 0.24448929000
|
||
|
|
6 3.5643308647 -0.26400163004
|
||
|
|
P 3
|
||
|
|
1 8.3793352896 -0.11016848999
|
||
|
|
2 4.7567465018 -0.24310255997
|
||
|
|
3 2.1155437701 -0.18589755998
|
||
|
|
P 1
|
||
|
|
1 1.2378242468 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.57874986425 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.25295715243 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.78345762145E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.28325755449E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 406.09940000 0.65500000000E-03
|
||
|
|
2 122.42050000 0.53410000000E-02
|
||
|
|
3 46.367900000 0.22180000000E-01
|
||
|
|
4 20.728900000 0.29630000000E-01
|
||
|
|
5 7.9773000000 0.28827000000
|
||
|
|
6 4.1175000000 0.44967800000
|
||
|
|
D 1
|
||
|
|
1 2.0783000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.98880000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.33890000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10370000000 1.0000000
|
||
|
|
F 5
|
||
|
|
1 128.70520000 0.39700000000E-02
|
||
|
|
2 46.564700000 0.38735000000E-01
|
||
|
|
3 20.888200000 0.13395800000
|
||
|
|
4 9.5233000000 0.26283500000
|
||
|
|
5 4.3476000000 0.35391100000
|
||
|
|
F 1
|
||
|
|
1 1.9241000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.79260000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.28550000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 12.060950000 0.12125000000
|
||
|
|
2 2.7404500000 0.60918000000
|
||
|
|
G 1
|
||
|
|
1 0.47570000000 1.0000000
|
||
|
|
|
||
|
|
TERBIUM
|
||
|
|
S 5
|
||
|
|
1 72672.982000 0.14500000000E-03
|
||
|
|
2 10989.467000 0.10810000000E-02
|
||
|
|
3 2527.1175000 0.50610000000E-02
|
||
|
|
4 721.01020000 0.14727000000E-01
|
||
|
|
5 226.91820000 0.22029000000E-01
|
||
|
|
S 1
|
||
|
|
1 46.084600000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 30.515700000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 15.763200000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.0394000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.0660000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.74960000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.32390000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.56100000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.23100000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1496.7406375 -0.35252193521E-03
|
||
|
|
2 336.67224858 -0.27802936896E-02
|
||
|
|
3 95.107797436 -0.97271998087E-02
|
||
|
|
4 26.173983351 -0.75975213748E-01
|
||
|
|
5 16.574198794 0.24438375027
|
||
|
|
6 3.7589776432 -0.26379918982
|
||
|
|
P 3
|
||
|
|
1 8.9860567493 -0.11195705980
|
||
|
|
2 4.9587485157 -0.24219364975
|
||
|
|
3 2.0850168854 -0.18569740970
|
||
|
|
P 1
|
||
|
|
1 1.3118796539 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.60093829090 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.26272369944 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.79998395175E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.29116323886E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 410.83070000 0.84900000000E-03
|
||
|
|
2 123.83550000 0.69370000000E-02
|
||
|
|
3 47.013100000 0.28533000000E-01
|
||
|
|
4 20.298900000 0.50342000000E-01
|
||
|
|
5 8.0138000000 0.30163300000
|
||
|
|
6 4.0855000000 0.44817800000
|
||
|
|
D 1
|
||
|
|
1 2.0516000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.98380000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.34200000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10580000000 1.0000000
|
||
|
|
F 5
|
||
|
|
1 128.96660000 0.45880000000E-02
|
||
|
|
2 46.786100000 0.43563000000E-01
|
||
|
|
3 21.002100000 0.14488000000
|
||
|
|
4 9.5773000000 0.27243000000
|
||
|
|
5 4.3716000000 0.35365200000
|
||
|
|
F 1
|
||
|
|
1 1.9343000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.79600000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.28660000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 12.266280000 0.14056000000
|
||
|
|
2 2.7970700000 0.65618000000
|
||
|
|
G 1
|
||
|
|
1 0.47763000000 1.0000000
|
||
|
|
|
||
|
|
DYSPROSIUM
|
||
|
|
S 5
|
||
|
|
1 78529.743000 0.13800000000E-03
|
||
|
|
2 11854.699000 0.10330000000E-02
|
||
|
|
3 2719.9807000 0.48610000000E-02
|
||
|
|
4 772.40360000 0.14340000000E-01
|
||
|
|
5 242.03200000 0.21620000000E-01
|
||
|
|
S 1
|
||
|
|
1 48.356200000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 31.880600000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 16.860900000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.2155000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.1287000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.78890000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.33830000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.58100000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.23800000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1358.7955712 -0.54124273749E-03
|
||
|
|
2 314.30076974 -0.38199599919E-02
|
||
|
|
3 96.833600236 -0.11659520370E-01
|
||
|
|
4 26.794921343 -0.71362166970E-01
|
||
|
|
5 16.402756832 0.24160993997
|
||
|
|
6 3.7814596949 -0.26927863007
|
||
|
|
P 3
|
||
|
|
1 11.024274121 -0.11776304007
|
||
|
|
2 5.4163925954 -0.24421949997
|
||
|
|
3 2.0677311442 -0.17947890999
|
||
|
|
P 1
|
||
|
|
1 1.5508876090 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.70008700696 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.30001063837 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.93510529355E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.32387494996E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 409.80320000 0.10460000000E-02
|
||
|
|
2 123.71040000 0.84480000000E-02
|
||
|
|
3 47.097600000 0.33945000000E-01
|
||
|
|
4 20.120200000 0.63313000000E-01
|
||
|
|
5 8.1571000000 0.31054200000
|
||
|
|
6 4.1474000000 0.44327600000
|
||
|
|
D 1
|
||
|
|
1 2.0825000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.99980000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.32020000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.91300000000E-01 1.0000000
|
||
|
|
F 5
|
||
|
|
1 129.62740000 0.52520000000E-02
|
||
|
|
2 47.172700000 0.48490000000E-01
|
||
|
|
3 21.158600000 0.15475200000
|
||
|
|
4 9.6381000000 0.28117000000
|
||
|
|
5 4.3953000000 0.35382800000
|
||
|
|
F 1
|
||
|
|
1 1.9426000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.79800000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.28660000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 12.470860000 0.16642000000
|
||
|
|
2 2.8569100000 0.71999000000
|
||
|
|
G 1
|
||
|
|
1 0.47823000000 1.0000000
|
||
|
|
|
||
|
|
HOLMIUM
|
||
|
|
S 5
|
||
|
|
1 86373.955000 0.78000000000E-04
|
||
|
|
2 13014.200000 0.58800000000E-03
|
||
|
|
3 2974.2417000 0.28010000000E-02
|
||
|
|
4 840.77100000 0.83640000000E-02
|
||
|
|
5 258.12230000 0.13419000000E-01
|
||
|
|
S 1
|
||
|
|
1 49.764800000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 35.546300000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 18.129000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.4456000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.2170000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.83290000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.35440000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.59700000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.24400000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1332.9863082 -0.69886752830E-03
|
||
|
|
2 314.40687931 -0.47443415377E-02
|
||
|
|
3 97.911719435 -0.14164711110E-01
|
||
|
|
4 27.909961603 -0.67658927355E-01
|
||
|
|
5 16.545097311 0.23908917082
|
||
|
|
6 3.9331568107 -0.28419452937
|
||
|
|
P 3
|
||
|
|
1 11.734112679 -0.12903589462
|
||
|
|
2 5.7259586736 -0.22875008481
|
||
|
|
3 2.1474251528 -0.17724151732
|
||
|
|
P 1
|
||
|
|
1 1.9836134634 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.84599263880 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.35904662823 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.12780582053 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.38623978525E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 454.44040000 0.10650000000E-02
|
||
|
|
2 137.41230000 0.87540000000E-02
|
||
|
|
3 52.693600000 0.35896000000E-01
|
||
|
|
4 22.603700000 0.76848000000E-01
|
||
|
|
5 8.7808000000 0.29227300000
|
||
|
|
6 4.3752000000 0.45709200000
|
||
|
|
D 1
|
||
|
|
1 2.1022000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.90730000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.31720000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.97500000000E-01 1.0000000
|
||
|
|
F 5
|
||
|
|
1 136.46780000 0.52300000000E-02
|
||
|
|
2 49.569200000 0.48449000000E-01
|
||
|
|
3 22.247100000 0.15620800000
|
||
|
|
4 10.135900000 0.28238400000
|
||
|
|
5 4.6186000000 0.35388100000
|
||
|
|
F 1
|
||
|
|
1 2.0375000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.83430000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.29790000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 13.123980000 0.18691000000
|
||
|
|
2 3.0334900000 0.78139000000
|
||
|
|
G 1
|
||
|
|
1 0.49854000000 1.0000000
|
||
|
|
|
||
|
|
ERBIUM
|
||
|
|
S 5
|
||
|
|
1 89904.835000 0.63000000000E-04
|
||
|
|
2 13532.874000 0.47300000000E-03
|
||
|
|
3 3087.3042000 0.22540000000E-02
|
||
|
|
4 870.18760000 0.67060000000E-02
|
||
|
|
5 263.42620000 0.10882000000E-01
|
||
|
|
S 1
|
||
|
|
1 52.414100000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 37.438700000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 18.930000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.6293000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.3028000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.86460000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.36610000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.60500000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.24700000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1313.7192000 -0.85085703000E-03
|
||
|
|
2 317.62634000 -0.56332121000E-02
|
||
|
|
3 100.72062000 -0.15928060000E-01
|
||
|
|
4 31.085412000 -0.56267936000E-01
|
||
|
|
5 16.701242000 0.23405579000
|
||
|
|
6 4.4544611000 -0.30821909000
|
||
|
|
P 3
|
||
|
|
1 11.957197000 -0.14606300000
|
||
|
|
2 6.1128678000 -0.21361997000
|
||
|
|
3 2.3709039000 -0.17725088000
|
||
|
|
P 1
|
||
|
|
1 2.6407536000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.0370364000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.44469224000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.17406437000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.68583626885E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.26118405217E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 456.00080000 0.14180000000E-02
|
||
|
|
2 138.15230000 0.11586000000E-01
|
||
|
|
3 53.204400000 0.46849000000E-01
|
||
|
|
4 22.681500000 0.10408300000
|
||
|
|
5 8.9971000000 0.28843400000
|
||
|
|
6 4.4298000000 0.44983300000
|
||
|
|
D 1
|
||
|
|
1 2.1154000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.90920000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.31100000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.93300000000E-01 1.0000000
|
||
|
|
F 5
|
||
|
|
1 137.95750000 0.52180000000E-02
|
||
|
|
2 49.673200000 0.48047000000E-01
|
||
|
|
3 22.275400000 0.16363400000
|
||
|
|
4 10.212300000 0.28948300000
|
||
|
|
5 4.6589000000 0.35374200000
|
||
|
|
F 1
|
||
|
|
1 2.0551000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.84060000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.29960000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 13.283810000 0.20251000000
|
||
|
|
2 3.1091200000 0.78435000000
|
||
|
|
G 1
|
||
|
|
1 0.50184000000 1.0000000
|
||
|
|
|
||
|
|
THULIUM
|
||
|
|
S 5
|
||
|
|
1 91965.741000 0.56000000000E-04
|
||
|
|
2 13821.718000 0.42000000000E-03
|
||
|
|
3 3143.9393000 0.20100000000E-02
|
||
|
|
4 882.03480000 0.59310000000E-02
|
||
|
|
5 261.83820000 0.96710000000E-02
|
||
|
|
S 1
|
||
|
|
1 55.310800000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 39.507700000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 19.625100000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.8195000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.3954000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.89260000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.37650000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.61500000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.25000000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1416.2116000 -0.95591407000E-03
|
||
|
|
2 364.66774000 -0.55852573000E-02
|
||
|
|
3 124.32162000 -0.16181718000E-01
|
||
|
|
4 42.452195000 -0.36559868000E-01
|
||
|
|
5 14.730545000 0.23712942000
|
||
|
|
6 5.4481245000 -0.30572341000
|
||
|
|
P 3
|
||
|
|
1 11.991772000 -0.15251673000
|
||
|
|
2 9.8698236000 -0.20311556000
|
||
|
|
3 2.0053929000 -0.19621836000
|
||
|
|
P 1
|
||
|
|
1 3.5694494000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.3379669000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.57929408000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.23696110000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.76512597103E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.28346699677E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 462.75630000 0.15900000000E-02
|
||
|
|
2 140.26880000 0.12892000000E-01
|
||
|
|
3 54.038900000 0.51416000000E-01
|
||
|
|
4 22.993700000 0.11270300000
|
||
|
|
5 9.1744000000 0.29479100000
|
||
|
|
6 4.4985000000 0.44636800000
|
||
|
|
D 1
|
||
|
|
1 2.1434000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.91950000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.31310000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.93400000000E-01 1.0000000
|
||
|
|
F 5
|
||
|
|
1 139.45920000 0.59800000000E-02
|
||
|
|
2 50.468800000 0.53736000000E-01
|
||
|
|
3 22.646900000 0.17238700000
|
||
|
|
4 10.346700000 0.29555200000
|
||
|
|
5 4.7136000000 0.35243800000
|
||
|
|
F 1
|
||
|
|
1 2.0773000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.84900000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.30230000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 13.578740000 0.22821000000
|
||
|
|
2 3.1908200000 0.81194000000
|
||
|
|
G 1
|
||
|
|
1 0.50661000000 1.0000000
|
||
|
|
|
||
|
|
YTTERBIUM
|
||
|
|
S 5
|
||
|
|
1 91972.903000 0.51000000000E-04
|
||
|
|
2 13787.371000 0.38600000000E-03
|
||
|
|
3 3123.6135000 0.18440000000E-02
|
||
|
|
4 871.47540000 0.53560000000E-02
|
||
|
|
5 250.46300000 0.88590000000E-02
|
||
|
|
S 1
|
||
|
|
1 58.282700000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 41.630500000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 20.216400000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.9972000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.4822000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.91790000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.38530000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.61400000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.25000000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1497.5567000 -0.10182934000E-02
|
||
|
|
2 375.04101000 -0.60919401000E-02
|
||
|
|
3 128.69727000 -0.17077693000E-01
|
||
|
|
4 45.270759000 -0.35655508000E-01
|
||
|
|
5 14.906971000 0.23732226000
|
||
|
|
6 5.6450858000 -0.30559689000
|
||
|
|
P 3
|
||
|
|
1 12.274108000 -0.15252141000
|
||
|
|
2 10.695631000 -0.20243492000
|
||
|
|
3 2.0359782000 -0.19621046000
|
||
|
|
P 1
|
||
|
|
1 3.6752106000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.3296961000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.55338966000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.22382350000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.68350467650E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.25355670803E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 469.76060000 0.19840000000E-02
|
||
|
|
2 142.61280000 0.16013000000E-01
|
||
|
|
3 55.126700000 0.63153000000E-01
|
||
|
|
4 23.441500000 0.13780000000
|
||
|
|
5 9.4951000000 0.28549800000
|
||
|
|
6 4.5792000000 0.43830900000
|
||
|
|
D 1
|
||
|
|
1 2.1646000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.92380000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.31070000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.91400000000E-01 1.0000000
|
||
|
|
F 5
|
||
|
|
1 142.02930000 0.59570000000E-02
|
||
|
|
2 51.086200000 0.53180000000E-01
|
||
|
|
3 22.874100000 0.17807600000
|
||
|
|
4 10.502500000 0.30060000000
|
||
|
|
5 4.7872000000 0.35034200000
|
||
|
|
F 1
|
||
|
|
1 2.1088000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.86090000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.30600000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 13.839970000 0.23829000000
|
||
|
|
2 3.2969700000 0.77428000000
|
||
|
|
G 1
|
||
|
|
1 0.51326000000 1.0000000
|
||
|
|
|
||
|
|
LUTETIUM
|
||
|
|
S 5
|
||
|
|
1 95169.767000 0.22000000000E-04
|
||
|
|
2 15488.403000 0.14500000000E-03
|
||
|
|
3 3776.2335000 0.65100000000E-03
|
||
|
|
4 1079.0501000 0.20380000000E-02
|
||
|
|
5 268.95380000 0.51270000000E-02
|
||
|
|
S 1
|
||
|
|
1 63.467900000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 45.133200000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 21.456800000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 5.3483000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.6778000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.0287000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.44080000000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.79100000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.31300000000E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 1500.5317313 -0.10192569555E-02
|
||
|
|
2 382.39748937 -0.59476212135E-02
|
||
|
|
3 132.99969628 -0.16265160929E-01
|
||
|
|
4 46.110032419 -0.35623845839E-01
|
||
|
|
5 15.583529011 0.23709171074
|
||
|
|
6 5.7856677022 -0.30670977844
|
||
|
|
P 3
|
||
|
|
1 12.333733920 -0.15313031066
|
||
|
|
2 11.080331415 -0.20300664852
|
||
|
|
3 2.0341747228 -0.19458361263
|
||
|
|
P 1
|
||
|
|
1 3.7823361008 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.3682592248 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.57288205601 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.22793165135 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.81403917986E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.29091071778E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 484.52750000 0.22860000000E-02
|
||
|
|
2 146.66550000 0.18629000000E-01
|
||
|
|
3 56.377900000 0.74088000000E-01
|
||
|
|
4 23.671100000 0.16155400000
|
||
|
|
5 9.4401000000 0.30809100000
|
||
|
|
6 4.3712000000 0.44833400000
|
||
|
|
D 1
|
||
|
|
1 1.9580000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.72720000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.24600000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.74400000000E-01 1.0000000
|
||
|
|
F 5
|
||
|
|
1 175.15590000 0.41020000000E-02
|
||
|
|
2 62.890900000 0.39086000000E-01
|
||
|
|
3 28.362400000 0.14704400000
|
||
|
|
4 13.247800000 0.27109200000
|
||
|
|
5 6.1440000000 0.34566500000
|
||
|
|
F 1
|
||
|
|
1 2.7623000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.1574000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.42440000000 1.0000000
|
||
|
|
G 2
|
||
|
|
1 16.904080000 0.19803000000
|
||
|
|
2 4.1852600000 0.76741000000
|
||
|
|
G 1
|
||
|
|
1 0.70086000000 1.0000000
|
||
|
|
|
||
|
|
HAFNIUM
|
||
|
|
S 4
|
||
|
|
1 24.000000000 0.19369448644
|
||
|
|
2 16.000000000 -3.5064630782
|
||
|
|
3 14.400000000 4.3082581000
|
||
|
|
4 10.304504667 -0.91045809742
|
||
|
|
S 1
|
||
|
|
1 3.8426510824 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.93296029049 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.42615320942 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.93366560195E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.35532895141E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 17.000000000 -0.30316491880E-01
|
||
|
|
2 11.738072097 0.10139279686
|
||
|
|
3 4.9203967161 -0.28227924657
|
||
|
|
4 1.1251726138 0.52032008501
|
||
|
|
P 1
|
||
|
|
1 0.54220114055 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.25659447877 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.06500000000 1.0000000
|
||
|
|
D 3
|
||
|
|
1 3.9820623229 -0.42446023944E-01
|
||
|
|
2 1.3077987772 0.18409232564
|
||
|
|
3 0.53272310298 0.41484423516
|
||
|
|
D 1
|
||
|
|
1 0.20564954488 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.73099858787E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5310400 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1653700 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2903600 1.0000000
|
||
|
|
|
||
|
|
TANTALUM
|
||
|
|
S 4
|
||
|
|
1 24.473650944 0.20590322488
|
||
|
|
2 18.721372549 -0.74670795514
|
||
|
|
3 11.500000000 3.4071363897
|
||
|
|
4 10.350000000 -2.8175487609
|
||
|
|
S 1
|
||
|
|
1 3.8436180089 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.0202266016 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.46774781869 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10323186670 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.38674461203E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 17.000000000 -0.32577305616E-01
|
||
|
|
2 12.008186536 0.10336287365
|
||
|
|
3 5.0278760583 -0.28526521696
|
||
|
|
4 1.1937124184 0.51790141155
|
||
|
|
P 1
|
||
|
|
1 0.57889707053 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.27225198801 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.06500000000 1.0000000
|
||
|
|
D 3
|
||
|
|
1 3.9738796278 -0.52799310714E-01
|
||
|
|
2 1.4528884813 0.18558319471
|
||
|
|
3 0.61042908544 0.42959071631
|
||
|
|
D 1
|
||
|
|
1 0.24216276510 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.87909318337E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6706600 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2103100 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.4016500 1.0000000
|
||
|
|
|
||
|
|
TUNGSTEN
|
||
|
|
S 3
|
||
|
|
1 30.000000000 0.32246483410
|
||
|
|
2 27.000000000 -0.46692257214
|
||
|
|
3 13.078045684 0.42699563776
|
||
|
|
S 1
|
||
|
|
1 4.8100449717 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.98497804263 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.44910485344 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.11448352920 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.41720421956E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 17.000000000 -0.37817768433E-01
|
||
|
|
2 12.431973432 0.10905673845
|
||
|
|
3 5.1586217658 -0.29399955020
|
||
|
|
4 1.2801454812 0.51560726697
|
||
|
|
P 1
|
||
|
|
1 0.62856790898 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.29380423553 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.06500000000 1.0000000
|
||
|
|
D 4
|
||
|
|
1 7.4064737315 0.86993963018E-01
|
||
|
|
2 5.9026268603 -0.17667540011
|
||
|
|
3 1.2984756750 0.55145697030
|
||
|
|
4 0.57153508541 0.95313596535
|
||
|
|
D 1
|
||
|
|
1 0.23845526606 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.91144267331E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8082400 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2552400 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.5129300 1.0000000
|
||
|
|
|
||
|
|
RHENIUM
|
||
|
|
S 3
|
||
|
|
1 30.000000000 0.31780717811
|
||
|
|
2 27.000000000 -0.46492321332
|
||
|
|
3 13.078045684 0.45723641305
|
||
|
|
S 1
|
||
|
|
1 5.0352712861 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.0482706438 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.47708773413 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.12225857255 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.44007400609E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 18.000000000 -0.26890962397E-01
|
||
|
|
2 12.318606250 0.99711498502E-01
|
||
|
|
3 5.3719234505 -0.29289398145
|
||
|
|
4 1.3506646748 0.51466301434
|
||
|
|
P 1
|
||
|
|
1 0.66212816808 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.31071385193 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.07000000000 1.0000000
|
||
|
|
D 4
|
||
|
|
1 7.7352877672 0.83901798556E-01
|
||
|
|
2 6.0949443610 -0.17722258734
|
||
|
|
3 1.3871105497 0.55238259692
|
||
|
|
4 0.62324027854 0.91980111239
|
||
|
|
D 1
|
||
|
|
1 0.26517328547 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.10321096849 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9438600 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3001800 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6242200 1.0000000
|
||
|
|
|
||
|
|
OSMIUM
|
||
|
|
S 3
|
||
|
|
1 30.000000000 0.32213004804
|
||
|
|
2 27.000000000 -0.47922918137
|
||
|
|
3 13.524730005 0.47465946837
|
||
|
|
S 1
|
||
|
|
1 5.2402883472 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.1306661245 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.51689966917 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.13222953545 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.47220318801E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 15.500000000 0.16016463376
|
||
|
|
2 14.000000000 -0.23201520402
|
||
|
|
3 5.5458290420 0.29772587274
|
||
|
|
4 1.4139502215 -0.54253238176
|
||
|
|
P 1
|
||
|
|
1 0.68136686765 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.30911452647 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.52000000000E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 8.2945059487 0.69648222110E-01
|
||
|
|
2 6.3060397430 -0.16444229630
|
||
|
|
3 1.4890109110 0.55154541033
|
||
|
|
4 0.67315390607 0.88461370291
|
||
|
|
D 1
|
||
|
|
1 0.28590805222 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.11058012051 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.0672900 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3422200 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.7548900 1.0000000
|
||
|
|
|
||
|
|
IRIDIUM
|
||
|
|
S 3
|
||
|
|
1 30.000000000 0.30797903228
|
||
|
|
2 27.000000000 -0.46726361781
|
||
|
|
3 13.961973911 0.47161003146
|
||
|
|
S 1
|
||
|
|
1 5.3956977802 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.2149128721 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.55885743756 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.14097974313 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.50021924989E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 15.902664143 -0.16290720099
|
||
|
|
2 14.415830698 0.23483212987
|
||
|
|
3 5.7597608991 -0.30305337176
|
||
|
|
4 1.5008913108 0.55512982069
|
||
|
|
P 1
|
||
|
|
1 0.72348035957 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.32785980328 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.56000000000E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 8.6321692504 0.75000099949E-01
|
||
|
|
2 6.5898192302 -0.17326965173
|
||
|
|
3 1.5808379663 0.55065196913
|
||
|
|
4 0.71827834905 0.85273641436
|
||
|
|
D 1
|
||
|
|
1 0.30571851998 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.11827071879 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.1885700 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3842600 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.8855600 1.0000000
|
||
|
|
|
||
|
|
PLATINUM
|
||
|
|
S 3
|
||
|
|
1 30.000000000 0.27148263900
|
||
|
|
2 27.000000000 -0.42226758774
|
||
|
|
3 14.408318564 0.44361581995
|
||
|
|
S 1
|
||
|
|
1 5.5335788010 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.2986438223 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.58759393108 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.13845587261 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.49204459888E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 15.500000000 -0.15672718629
|
||
|
|
2 14.000000000 0.23853412989
|
||
|
|
3 6.1161212339 -0.31041379733
|
||
|
|
4 1.5715586385 0.56473525089
|
||
|
|
P 1
|
||
|
|
1 0.75132510781 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.33306466812 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.57000000000E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 8.3207937611 0.62945798646E-01
|
||
|
|
2 7.4207226520 -0.90271847072E-01
|
||
|
|
3 1.6570410639 0.16812526416
|
||
|
|
4 0.73943569960 0.25045416970
|
||
|
|
D 1
|
||
|
|
1 0.30510856008 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.11350405268 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.3077100 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4263000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.0162300 1.0000000
|
||
|
|
|
||
|
|
GOLD
|
||
|
|
S 3
|
||
|
|
1 30.000000000 0.20749231108
|
||
|
|
2 27.000000000 -0.33267893394
|
||
|
|
3 14.746824331 0.38302817958
|
||
|
|
S 1
|
||
|
|
1 5.6017248938 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.3874162443 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.62923031957 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.14027517613 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.49379413761E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 15.500000000 0.15001711880
|
||
|
|
2 14.000000000 -0.23609813183
|
||
|
|
3 6.4227368205 0.31458896948
|
||
|
|
4 1.6595601681 -0.57279670446
|
||
|
|
P 1
|
||
|
|
1 0.79402913993 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.35125155397 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.45000000000E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 9.5524098656 0.40145559502E-01
|
||
|
|
2 7.2698886937 -0.93690906606E-01
|
||
|
|
3 1.7746496789 0.31746282317
|
||
|
|
4 0.79960541055 0.46795192483
|
||
|
|
D 1
|
||
|
|
1 0.33252279372 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.12445133105 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.4246900 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4683400 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.1469000 1.0000000
|
||
|
|
|
||
|
|
MERCURY
|
||
|
|
S 3
|
||
|
|
1 48.013786990 0.58008164912E-02
|
||
|
|
2 21.239875095 -0.17328165235
|
||
|
|
3 15.876100879 0.36416685034
|
||
|
|
S 1
|
||
|
|
1 5.5180531820 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.5099145479 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.70683482159 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.16266265576 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.56960589112E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 17.500000000 -0.86457187331E-01
|
||
|
|
2 15.252594855 0.15327318234
|
||
|
|
3 6.4404715169 -0.30274955249
|
||
|
|
4 1.8180159920 0.54361285026
|
||
|
|
P 1
|
||
|
|
1 0.90067981801 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.41304540122 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11845702655 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.36087619349E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 10.028197701 0.39922353165E-01
|
||
|
|
2 7.5920661493 -0.94774230522E-01
|
||
|
|
3 1.9144256118 0.31164157463
|
||
|
|
4 0.88641552102 0.45567078406
|
||
|
|
D 1
|
||
|
|
1 0.38154235320 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.14880740086 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.5521700 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5243100 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.2895000 1.0000000
|
||
|
|
|
||
|
|
THALLIUM
|
||
|
|
S 4
|
||
|
|
1 729.65038145 0.13672829828E-03
|
||
|
|
2 46.665548707 0.60443439951E-02
|
||
|
|
3 20.970448726 -0.20022066697
|
||
|
|
4 14.149588677 0.40801678488
|
||
|
|
S 2
|
||
|
|
1 20.730134285 -0.71861135918E-01
|
||
|
|
2 6.1527631309 0.98057508445
|
||
|
|
S 1
|
||
|
|
1 1.5757324480 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.74980169458 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.19536816194 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.70878767298E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 15.383852616 0.61717949180
|
||
|
|
2 14.814929544 -0.72859235151
|
||
|
|
3 6.7261253658 0.40438195364
|
||
|
|
P 3
|
||
|
|
1 1.9626182149 0.43157661160
|
||
|
|
2 1.0331857851 0.39230403853
|
||
|
|
3 0.53837445996 0.14007406820
|
||
|
|
P 1
|
||
|
|
1 0.24446611676 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.90785377260E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.33401321498E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 57.606819928 0.16054811114E-03
|
||
|
|
2 9.7368866667 0.24456562496E-01
|
||
|
|
3 6.9256201679 -0.69914775031E-01
|
||
|
|
4 2.1396230731 0.19496269490
|
||
|
|
5 1.0836187110 0.29731629705
|
||
|
|
6 0.52356298209 0.23728708102
|
||
|
|
D 1
|
||
|
|
1 0.23842309375 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.95000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9500000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2843500 1.0000000
|
||
|
|
|
||
|
|
LEAD
|
||
|
|
S 4
|
||
|
|
1 591.61124370 0.22126521076E-03
|
||
|
|
2 46.757232559 0.56961959130E-02
|
||
|
|
3 20.746462696 -0.21374063831
|
||
|
|
4 14.610796419 0.40502620616
|
||
|
|
S 2
|
||
|
|
1 20.222637612 -0.83541883299E-01
|
||
|
|
2 6.4767324865 0.97910892388
|
||
|
|
S 1
|
||
|
|
1 1.6600600927 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.80431655001 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.22627039020 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.84014530665E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 15.189102118 0.61952303583
|
||
|
|
2 14.693144415 -0.72498497086
|
||
|
|
3 6.8705890048 0.37680007984
|
||
|
|
P 3
|
||
|
|
1 2.2021426123 0.40196284806
|
||
|
|
2 1.2209125119 0.46058131862
|
||
|
|
3 0.63367559815 0.19367655397
|
||
|
|
P 1
|
||
|
|
1 0.28202837058 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.11333375666 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.43948707430E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 61.315369628 0.33870800787E-03
|
||
|
|
2 12.372195840 0.13788683942E-01
|
||
|
|
3 6.9254944983 -0.75979608103E-01
|
||
|
|
4 2.3319539939 0.28113784298
|
||
|
|
5 1.2108730003 0.44474512269
|
||
|
|
6 0.60090478506 0.35326874351
|
||
|
|
D 1
|
||
|
|
1 0.28135869813 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.11500000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.0000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2896200 1.0000000
|
||
|
|
|
||
|
|
BISMUTH
|
||
|
|
S 4
|
||
|
|
1 716.41435310 0.31254307133E-03
|
||
|
|
2 83.806059047 0.17624768946E-02
|
||
|
|
3 21.116962853 -0.21910983437
|
||
|
|
4 15.491448187 0.40411224931
|
||
|
|
S 2
|
||
|
|
1 23.239855029 -0.68255758685E-01
|
||
|
|
2 6.6474255000 0.97888046471
|
||
|
|
S 1
|
||
|
|
1 1.7617744005 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.87252866000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.25618895997 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.97073913006E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 15.249644669 0.74560356000
|
||
|
|
2 14.846176053 -0.85578637338
|
||
|
|
3 7.0636826784 0.40149159592
|
||
|
|
P 3
|
||
|
|
1 2.5881255616 0.35542729633
|
||
|
|
2 1.5020208499 0.63976991890
|
||
|
|
3 0.76732724388 0.32332773839
|
||
|
|
P 1
|
||
|
|
1 0.32797648982 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.13820335991 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.55137330969E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 66.404481948 0.38102878348E-03
|
||
|
|
2 13.858426961 0.10746152442E-01
|
||
|
|
3 7.0654519000 -0.71947646845E-01
|
||
|
|
4 2.5252144035 0.26195974989
|
||
|
|
5 1.3419585000 0.42594750000
|
||
|
|
6 0.68340941000 0.33680325627
|
||
|
|
D 1
|
||
|
|
1 0.32934755420 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.14000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.0500000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3127100 1.0000000
|
||
|
|
|
||
|
|
POLONIUM
|
||
|
|
S 5
|
||
|
|
1 6744.8211765 0.76891556363E-04
|
||
|
|
2 744.41892532 0.71284827354E-03
|
||
|
|
3 131.04029309 0.22057583958E-02
|
||
|
|
4 19.662021030 -0.64364713744
|
||
|
|
5 16.623025609 0.91997150546
|
||
|
|
S 2
|
||
|
|
1 23.094002965 -0.70404410177E-01
|
||
|
|
2 6.9707398381 0.97886540086
|
||
|
|
S 1
|
||
|
|
1 1.8497377593 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.93082999263 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.28673026462 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.10979212169 1.0000000
|
||
|
|
P 4
|
||
|
|
1 8.9027395407 -0.13798250445
|
||
|
|
2 5.7414667465 0.26304005326
|
||
|
|
3 1.9896329823 0.66225846161
|
||
|
|
4 0.94703210822 0.39547051892
|
||
|
|
P 3
|
||
|
|
1 253.99024497 0.83876362116E-04
|
||
|
|
2 9.8712718748 0.24572710458
|
||
|
|
3 7.4489893496 -0.44297763661
|
||
|
|
P 1
|
||
|
|
1 0.37071136280 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.15554706086 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.61173720818E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 67.943077046 0.48919125336E-03
|
||
|
|
2 14.914219894 0.10157120776E-01
|
||
|
|
3 7.2973948305 -0.69943263066E-01
|
||
|
|
4 2.6826784400 0.26244730680
|
||
|
|
5 1.4374143009 0.42702361494
|
||
|
|
6 0.73903797417 0.32502435477
|
||
|
|
D 1
|
||
|
|
1 0.35838153281 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.15000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.4000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3327500 1.0000000
|
||
|
|
|
||
|
|
ASTATINE
|
||
|
|
S 5
|
||
|
|
1 3635.9809356 0.12571463494E-03
|
||
|
|
2 537.64129823 0.75950883820E-03
|
||
|
|
3 91.600030756 0.25790982348E-02
|
||
|
|
4 20.200005804 -0.54772187699
|
||
|
|
5 16.893873824 0.78417507786
|
||
|
|
S 2
|
||
|
|
1 18.177216938 -0.13023627002
|
||
|
|
2 7.2317852082 0.96473566747
|
||
|
|
S 1
|
||
|
|
1 1.9496199739 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.99226695236 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.31957178881 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.12342539809 1.0000000
|
||
|
|
P 4
|
||
|
|
1 8.9484156471 -0.15012953475
|
||
|
|
2 5.9694592464 0.27048141788
|
||
|
|
3 2.1099088209 0.63671217722
|
||
|
|
4 1.0236370373 0.38057472615
|
||
|
|
P 3
|
||
|
|
1 216.81518928 0.16975297090E-03
|
||
|
|
2 10.592298115 0.22683755793
|
||
|
|
3 7.4596585430 -0.47336848377
|
||
|
|
P 1
|
||
|
|
1 0.42186356565 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.17757132268 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.69670886939E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 70.619633393 0.59974022914E-03
|
||
|
|
2 16.212096478 0.93445952839E-02
|
||
|
|
3 7.3607401479 -0.70748413897E-01
|
||
|
|
4 2.9309052592 0.24037366077
|
||
|
|
5 1.6085414823 0.41841372624
|
||
|
|
6 0.84194162715 0.32832651044
|
||
|
|
D 1
|
||
|
|
1 0.41335677957 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.17400000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.8000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3740800 1.0000000
|
||
|
|
|
||
|
|
RADON
|
||
|
|
S 5
|
||
|
|
1 5187.7442468 0.16097034848E-03
|
||
|
|
2 768.14491207 0.10508214789E-02
|
||
|
|
3 159.35182065 0.27375438093E-02
|
||
|
|
4 21.863432724 -0.55045904905
|
||
|
|
5 18.388689978 0.78321373922
|
||
|
|
S 2
|
||
|
|
1 24.816226448 -0.82636797204E-01
|
||
|
|
2 7.2923301677 1.0926256000
|
||
|
|
S 1
|
||
|
|
1 2.0850437166 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.0915245945 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.34915708428 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.13648422952 1.0000000
|
||
|
|
P 4
|
||
|
|
1 9.0845000304 -0.23093917426
|
||
|
|
2 6.2631489717 0.39747614192
|
||
|
|
3 2.2545193734 0.83026693838
|
||
|
|
4 1.1180666918 0.51467013112
|
||
|
|
P 3
|
||
|
|
1 194.68918723 0.26265814046E-03
|
||
|
|
2 11.210013525 0.19952302621
|
||
|
|
3 7.5298316489 -0.45994479561
|
||
|
|
P 1
|
||
|
|
1 0.47444492594 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.20172354616 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.79503144392E-01 1.0000000
|
||
|
|
D 6
|
||
|
|
1 75.302723665 0.73590238429E-03
|
||
|
|
2 17.965913830 0.89490827389E-02
|
||
|
|
3 7.3741298033 -0.76641663693E-01
|
||
|
|
4 3.2296258578 0.22975404602
|
||
|
|
5 1.7937840508 0.43991495311
|
||
|
|
6 0.94633319732 0.35259395198
|
||
|
|
D 1
|
||
|
|
1 0.46860482223 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.20000000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.1000000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4180600 1.0000000
|
||
|
|
$END
|
||
|
|
|
||
|
|
$ECP
|
||
|
|
RB-ECP GEN 28 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
-12.3169000 2 3.8431140
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
89.5001980 2 5.0365510
|
||
|
|
0.4937610 2 1.9708490
|
||
|
|
12.3169000 2 3.8431140
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
58.5689740 2 4.2583410
|
||
|
|
0.4317910 2 1.4707090
|
||
|
|
12.3169000 2 3.8431140
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
26.2248980 2 3.0231270
|
||
|
|
0.9628390 2 0.6503830
|
||
|
|
12.3169000 2 3.8431140
|
||
|
|
SR-ECP GEN 28 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
-15.8059920 2 4.6339750
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
135.4794300 2 7.4000740
|
||
|
|
17.5344630 2 3.6063790
|
||
|
|
15.8059920 2 4.6339750
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
88.3597090 2 6.4848680
|
||
|
|
15.3943720 2 3.2880530
|
||
|
|
15.8059920 2 4.6339750
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
29.8889870 2 4.6228410
|
||
|
|
6.6594140 2 2.2469040
|
||
|
|
15.8059920 2 4.6339750
|
||
|
|
Y-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-19.12219811 2 6.5842120
|
||
|
|
-2.43637543 2 3.2921060
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
135.15384412 2 7.4880494
|
||
|
|
15.55244130 2 3.7440247
|
||
|
|
19.12219811 2 6.5842120
|
||
|
|
2.43637543 2 3.2921060
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
87.78499167 2 6.4453772
|
||
|
|
11.56406599 2 3.2226886
|
||
|
|
19.12219811 2 6.5842120
|
||
|
|
2.43637543 2 3.2921060
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
29.70100072 2 4.6584472
|
||
|
|
5.53996847 2 2.3292236
|
||
|
|
19.12219811 2 6.5842120
|
||
|
|
2.43637543 2 3.2921060
|
||
|
|
ZR-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-21.09377605 2 7.5400000
|
||
|
|
-3.08069427 2 3.7700000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
150.26759106 2 8.2000000
|
||
|
|
18.97621650 2 4.0897278
|
||
|
|
21.09377605 2 7.5400000
|
||
|
|
3.08069427 2 3.7700000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
99.62212372 2 7.1100000
|
||
|
|
14.16873329 2 3.5967980
|
||
|
|
21.09377605 2 7.5400000
|
||
|
|
3.08069427 2 3.7700000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
35.04512355 2 5.3500000
|
||
|
|
6.11125948 2 2.4918215
|
||
|
|
21.09377605 2 7.5400000
|
||
|
|
3.08069427 2 3.7700000
|
||
|
|
NB-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-22.92954996 2 8.4900000
|
||
|
|
-3.66630986 2 4.2500000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
165.17914349 2 8.9000000
|
||
|
|
21.99297437 2 4.4300000
|
||
|
|
22.92954996 2 8.4900000
|
||
|
|
3.66630986 2 4.2500000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
111.79441445 2 7.7700000
|
||
|
|
16.63348326 2 3.9600000
|
||
|
|
22.92954996 2 8.4900000
|
||
|
|
3.66630986 2 4.2500000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
38.11224880 2 6.0500000
|
||
|
|
8.03916727 2 2.8400000
|
||
|
|
22.92954996 2 8.4900000
|
||
|
|
3.66630986 2 4.2500000
|
||
|
|
MO-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-24.80517707 2 9.4500000
|
||
|
|
-4.15378155 2 4.7200000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
180.10310850 2 9.7145938
|
||
|
|
24.99722791 2 4.6805004
|
||
|
|
24.80517707 2 9.4500000
|
||
|
|
4.15378155 2 4.7200000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
123.77275231 2 8.1421366
|
||
|
|
19.53022800 2 4.6259863
|
||
|
|
24.80517707 2 9.4500000
|
||
|
|
4.15378155 2 4.7200000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
48.37502229 2 6.6184148
|
||
|
|
8.89205274 2 3.2487516
|
||
|
|
24.80517707 2 9.4500000
|
||
|
|
4.15378155 2 4.7200000
|
||
|
|
TC-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-26.56244747 2 10.4000000
|
||
|
|
-4.58568054 2 5.2000000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
195.15916591 2 10.4223462
|
||
|
|
28.09260333 2 5.0365160
|
||
|
|
26.56244747 2 10.4000000
|
||
|
|
4.58568054 2 5.2000000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
135.28456622 2 8.9504494
|
||
|
|
21.80650430 2 4.8544394
|
||
|
|
26.56244747 2 10.4000000
|
||
|
|
4.58568054 2 5.2000000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
54.32972942 2 6.9456968
|
||
|
|
11.15506795 2 3.9705849
|
||
|
|
26.56244747 2 10.4000000
|
||
|
|
4.58568054 2 5.2000000
|
||
|
|
RU-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-28.34061627 2 11.3600000
|
||
|
|
-4.94462923 2 5.6800000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
209.82297122 2 11.1052693
|
||
|
|
30.65472642 2 5.4147454
|
||
|
|
28.34061627 2 11.3600000
|
||
|
|
4.94462923 2 5.6800000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
146.33618228 2 9.7712707
|
||
|
|
24.12787723 2 5.0739908
|
||
|
|
28.34061627 2 11.3600000
|
||
|
|
4.94462923 2 5.6800000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
67.51589667 2 7.6714231
|
||
|
|
9.87010415 2 4.1365647
|
||
|
|
28.34061627 2 11.3600000
|
||
|
|
4.94462923 2 5.6800000
|
||
|
|
RH-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-30.09345572 2 12.3100000
|
||
|
|
-5.21848192 2 6.1600000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
225.34775353 2 11.7200000
|
||
|
|
32.82318898 2 5.8200000
|
||
|
|
30.09345572 2 12.3100000
|
||
|
|
5.21848192 2 6.1600000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
158.70941159 2 10.4200000
|
||
|
|
26.44410049 2 5.4500000
|
||
|
|
30.09345572 2 12.3100000
|
||
|
|
5.21848192 2 6.1600000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
62.75862572 2 8.8200000
|
||
|
|
10.97871947 2 3.8700000
|
||
|
|
30.09345572 2 12.3100000
|
||
|
|
5.21848192 2 6.1600000
|
||
|
|
PD-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-31.92955431 2 13.2700000
|
||
|
|
-5.39821694 2 6.6300000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
240.22904033 2 12.4300000
|
||
|
|
35.17194347 2 6.1707594
|
||
|
|
31.92955431 2 13.2700000
|
||
|
|
5.39821694 2 6.6300000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
170.41727605 2 11.0800000
|
||
|
|
28.47213287 2 5.8295541
|
||
|
|
31.92955431 2 13.2700000
|
||
|
|
5.39821694 2 6.6300000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
69.01384488 2 9.5100000
|
||
|
|
11.75086158 2 4.1397811
|
||
|
|
31.92955431 2 13.2700000
|
||
|
|
5.39821694 2 6.6300000
|
||
|
|
AG-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-33.68992012 2 14.2200000
|
||
|
|
-5.53112021 2 7.1100000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
255.13936452 2 13.1300000
|
||
|
|
36.86612154 2 6.5100000
|
||
|
|
33.68992012 2 14.2200000
|
||
|
|
5.53112021 2 7.1100000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
182.18186871 2 11.7400000
|
||
|
|
30.35775148 2 6.2000000
|
||
|
|
33.68992012 2 14.2200000
|
||
|
|
5.53112021 2 7.1100000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
73.71926087 2 10.2100000
|
||
|
|
12.50211712 2 4.3800000
|
||
|
|
33.68992012 2 14.2200000
|
||
|
|
5.53112021 2 7.1100000
|
||
|
|
CD-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-35.47662555 2 15.1847957
|
||
|
|
-5.61767685 2 7.5923978
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
270.00948324 2 13.8358689
|
||
|
|
38.76730798 2 6.8572704
|
||
|
|
35.47662555 2 15.1847957
|
||
|
|
5.61767685 2 7.5923978
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
193.82962939 2 12.4049710
|
||
|
|
31.89652523 2 6.5677995
|
||
|
|
35.47662555 2 15.1847957
|
||
|
|
5.61767685 2 7.5923978
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
79.19364700 2 10.8969253
|
||
|
|
13.23082674 2 4.6411649
|
||
|
|
35.47662555 2 15.1847957
|
||
|
|
5.61767685 2 7.5923978
|
||
|
|
IN-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-13.72807800 2 12.53905600
|
||
|
|
-18.20686600 2 12.55256100
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
281.12235000 2 15.39282200
|
||
|
|
61.90147000 2 8.05586400
|
||
|
|
13.72807800 2 12.53905600
|
||
|
|
18.20686600 2 12.55256100
|
||
|
|
6 ----- p-f potential -----
|
||
|
|
67.46215400 2 13.92867200
|
||
|
|
134.94925000 2 13.34723400
|
||
|
|
14.74614000 2 7.61413200
|
||
|
|
29.63926200 2 7.31836500
|
||
|
|
13.72807800 2 12.53905600
|
||
|
|
18.20686600 2 12.55256100
|
||
|
|
6 ----- d-f potential -----
|
||
|
|
35.49325400 2 14.03471500
|
||
|
|
53.17877300 2 14.51161600
|
||
|
|
9.17728100 2 5.55055000
|
||
|
|
12.39241000 2 5.05941500
|
||
|
|
13.72807800 2 12.53905600
|
||
|
|
18.20686600 2 12.55256100
|
||
|
|
SN-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-12.57633300 2 12.28234800
|
||
|
|
-16.59594400 2 12.27215000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
279.98868200 2 17.42041400
|
||
|
|
62.37781000 2 7.63115500
|
||
|
|
12.57633300 2 12.28234800
|
||
|
|
16.59594400 2 12.27215000
|
||
|
|
6 ----- p-f potential -----
|
||
|
|
66.16252300 2 16.13102400
|
||
|
|
132.17439600 2 15.62807700
|
||
|
|
16.33941700 2 7.32560800
|
||
|
|
32.48895900 2 6.94251900
|
||
|
|
12.57633300 2 12.28234800
|
||
|
|
16.59594400 2 12.27215000
|
||
|
|
6 ----- d-f potential -----
|
||
|
|
36.38744100 2 15.51497600
|
||
|
|
54.50784100 2 15.18816000
|
||
|
|
8.69682300 2 5.45602400
|
||
|
|
12.84020800 2 5.36310500
|
||
|
|
12.57633300 2 12.28234800
|
||
|
|
16.59594400 2 12.27215000
|
||
|
|
SB-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-15.36680100 2 14.44497800
|
||
|
|
-20.29613800 2 14.44929500
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
281.07158100 2 16.33086500
|
||
|
|
61.71660400 2 8.55654200
|
||
|
|
15.36680100 2 14.44497800
|
||
|
|
20.29613800 2 14.44929500
|
||
|
|
6 ----- p-f potential -----
|
||
|
|
67.45738000 2 14.47033700
|
||
|
|
134.93350300 2 13.81619400
|
||
|
|
14.71634400 2 8.42492400
|
||
|
|
29.51851200 2 8.09272800
|
||
|
|
15.36680100 2 14.44497800
|
||
|
|
20.29613800 2 14.44929500
|
||
|
|
6 ----- d-f potential -----
|
||
|
|
35.44781500 2 14.88633100
|
||
|
|
53.14346600 2 15.14631900
|
||
|
|
9.17922300 2 5.90826700
|
||
|
|
13.24025300 2 5.59432200
|
||
|
|
15.36680100 2 14.44497800
|
||
|
|
20.29613800 2 14.44929500
|
||
|
|
TE-ECP GEN 28 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
-15.74545000 2 15.20616800
|
||
|
|
-20.74244800 2 15.20170200
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
281.04584300 2 16.81447300
|
||
|
|
61.62065600 2 8.79352600
|
||
|
|
15.74545000 2 15.20616800
|
||
|
|
20.74244800 2 15.20170200
|
||
|
|
6 ----- p-f potential -----
|
||
|
|
67.44946400 2 14.87780100
|
||
|
|
134.90430400 2 14.26973100
|
||
|
|
14.68954700 2 8.72443500
|
||
|
|
29.41506300 2 8.29151500
|
||
|
|
15.74545000 2 15.20616800
|
||
|
|
20.74244800 2 15.20170200
|
||
|
|
6 ----- d-f potential -----
|
||
|
|
35.43205700 2 15.20500800
|
||
|
|
53.13568700 2 15.22584800
|
||
|
|
9.06980200 2 6.07176900
|
||
|
|
13.12230400 2 5.80476000
|
||
|
|
15.74545000 2 15.20616800
|
||
|
|
20.74244800 2 15.20170200
|
||
|
|
I-ECP GEN 28 3
|
||
|
|
4 ----- f-ul potential -----
|
||
|
|
-21.84204000 2 19.45860900
|
||
|
|
-28.46819100 2 19.34926000
|
||
|
|
-0.24371300 2 4.82376700
|
||
|
|
-0.32080400 2 4.88431500
|
||
|
|
7 ----- s-f potential -----
|
||
|
|
49.99429300 2 40.01583500
|
||
|
|
281.02531700 2 17.42974700
|
||
|
|
61.57332600 2 9.00548400
|
||
|
|
21.84204000 2 19.45860900
|
||
|
|
28.46819100 2 19.34926000
|
||
|
|
0.24371300 2 4.82376700
|
||
|
|
0.32080400 2 4.88431500
|
||
|
|
8 ----- p-f potential -----
|
||
|
|
67.44284100 2 15.35546600
|
||
|
|
134.88113700 2 14.97183300
|
||
|
|
14.67505100 2 8.96016400
|
||
|
|
29.37566600 2 8.25909600
|
||
|
|
21.84204000 2 19.45860900
|
||
|
|
28.46819100 2 19.34926000
|
||
|
|
0.24371300 2 4.82376700
|
||
|
|
0.32080400 2 4.88431500
|
||
|
|
10 ----- d-f potential -----
|
||
|
|
35.43952900 2 15.06890800
|
||
|
|
53.17605700 2 14.55532200
|
||
|
|
9.06719500 2 6.71864700
|
||
|
|
13.20693700 2 6.45639300
|
||
|
|
0.08933500 2 1.19177900
|
||
|
|
0.05238000 2 1.29115700
|
||
|
|
21.84204000 2 19.45860900
|
||
|
|
28.46819100 2 19.34926000
|
||
|
|
0.24371300 2 4.82376700
|
||
|
|
0.32080400 2 4.88431500
|
||
|
|
XE-ECP GEN 28 3
|
||
|
|
4 ----- f-ul potential -----
|
||
|
|
-23.08929500 2 20.88155700
|
||
|
|
-30.07447500 2 20.78344300
|
||
|
|
-0.28822700 2 5.25338900
|
||
|
|
-0.38692400 2 5.36118800
|
||
|
|
7 ----- s-f potential -----
|
||
|
|
49.99796200 2 40.00518400
|
||
|
|
281.01330300 2 17.81221400
|
||
|
|
61.53825500 2 9.30415000
|
||
|
|
23.08929500 2 20.88155700
|
||
|
|
30.07447500 2 20.78344300
|
||
|
|
0.28822700 2 5.25338900
|
||
|
|
0.38692400 2 5.36118800
|
||
|
|
8 ----- p-f potential -----
|
||
|
|
67.43914200 2 15.70177200
|
||
|
|
134.87471100 2 15.25860800
|
||
|
|
14.66330000 2 9.29218400
|
||
|
|
29.35473000 2 8.55900300
|
||
|
|
23.08929500 2 20.88155700
|
||
|
|
30.07447500 2 20.78344300
|
||
|
|
0.28822700 2 5.25338900
|
||
|
|
0.38692400 2 5.36118800
|
||
|
|
10 ----- d-f potential -----
|
||
|
|
35.43690800 2 15.18560000
|
||
|
|
53.19577200 2 14.28450000
|
||
|
|
9.04623200 2 7.12188900
|
||
|
|
13.22368100 2 6.99196300
|
||
|
|
0.08485300 2 0.62394600
|
||
|
|
0.04415500 2 0.64728400
|
||
|
|
23.08929500 2 20.88155700
|
||
|
|
30.07447500 2 20.78344300
|
||
|
|
0.28822700 2 5.25338900
|
||
|
|
0.38692400 2 5.36118800
|
||
|
|
CS-ECP GEN 46 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
-28.8843090 2 3.1232690
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
84.5477300 2 4.0797500
|
||
|
|
16.6541730 2 2.4174060
|
||
|
|
28.8843090 2 3.1232690
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
157.0490590 2 5.5140800
|
||
|
|
26.4233070 2 2.1603160
|
||
|
|
28.8843090 2 3.1232690
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
13.1727530 2 1.8074100
|
||
|
|
3.3428330 2 0.8581820
|
||
|
|
28.8843090 2 3.1232690
|
||
|
|
BA-ECP GEN 46 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
-33.4731740 2 3.5894650
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
427.8458160 2 9.5269860
|
||
|
|
204.4175300 2 4.4875100
|
||
|
|
33.4731740 2 3.5894650
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
293.6058640 2 8.3159300
|
||
|
|
294.1933160 2 4.2922170
|
||
|
|
33.4731740 2 3.5894650
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
112.5504020 2 5.9161080
|
||
|
|
181.7826210 2 2.8748420
|
||
|
|
33.4731740 2 3.5894650
|
||
|
|
LA-ECP GEN 46 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
-36.0100160 2 4.0286000
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
91.9321770 2 3.3099000
|
||
|
|
-3.7887640 2 1.6550000
|
||
|
|
36.0100160 2 4.0286000
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
63.7594860 2 2.8368000
|
||
|
|
-0.6479580 2 1.4184000
|
||
|
|
36.0100160 2 4.0286000
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
36.1161730 2 2.0213000
|
||
|
|
0.2191140 2 1.0107000
|
||
|
|
36.0100160 2 4.0286000
|
||
|
|
CE-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
580.08345700 2 20.13782900
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
310.30283300 2 15.99848200
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
167.81394400 2 14.97418700
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-49.39022900 2 23.40245500
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-21.33187900 2 16.57055300
|
||
|
|
PR-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
577.57312200 2 20.76627800
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
295.78584600 2 16.07844800
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
150.86705500 2 14.70508900
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-48.73676600 2 23.37896900
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-22.32948800 2 17.44713800
|
||
|
|
ND-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
574.37098000 2 21.35226700
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
280.94644000 2 16.11926500
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
138.67062700 2 14.49410300
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-47.52266800 2 23.18386000
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-23.34458700 2 18.34417400
|
||
|
|
PM-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
575.39574900 2 21.94286500
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
281.70451400 2 16.55516100
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
123.52473700 2 13.96030800
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-50.74151100 2 24.03354600
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-24.37251000 2 19.26024500
|
||
|
|
SM-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
572.98533200 2 22.34447100
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
272.35914500 2 16.69459000
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
115.29390000 2 13.72770500
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-51.10839200 2 24.05909200
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-25.42188500 2 20.19724900
|
||
|
|
EU-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
607.65933100 2 23.47138400
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
264.38547600 2 16.77247900
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
115.38137500 2 13.98134300
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-49.40079400 2 23.96288800
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-26.74827300 2 21.23245800
|
||
|
|
GD-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
637.20086900 2 24.60215100
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
261.68960100 2 16.88925000
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
106.85653300 2 13.64335800
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-50.68359000 2 24.12691700
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-27.57963000 2 22.13188700
|
||
|
|
TB-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
668.59715500 2 24.95295600
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
266.98047500 2 17.61089900
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
97.50659600 2 12.97600900
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-52.17575700 2 24.24886900
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-28.69426800 2 23.13067200
|
||
|
|
DY-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
705.67122100 2 26.42958600
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
254.86698900 2 17.31703400
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
95.04518700 2 12.91359900
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-54.57409300 2 24.90787800
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-29.82827700 2 24.14875300
|
||
|
|
HO-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
755.70313600 2 28.39725700
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
253.55199800 2 17.43863300
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
89.63567700 2 12.43421200
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-55.48203600 2 25.38701000
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-30.99112500 2 25.18850100
|
||
|
|
ER-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
800.95287600 2 29.79859200
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
262.01986900 2 18.11423700
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
80.17055200 2 11.36958700
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-42.33628500 2 21.82123300
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-32.18527800 2 26.25073500
|
||
|
|
TM-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
845.51074300 2 31.14412200
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
258.58523900 2 18.09235300
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
80.72905900 2 11.46915900
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-48.70126600 2 23.60554400
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-33.39549600 2 27.32978100
|
||
|
|
YB-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
891.01377700 2 32.42448400
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
264.03695300 2 18.65623200
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
73.92391900 2 10.49022200
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-39.59217300 2 20.77418300
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-34.63863800 2 28.43102800
|
||
|
|
LU-ECP GEN 28 5
|
||
|
|
1 ----- h-ul potential -----
|
||
|
|
0.00000000 2 1.00000000
|
||
|
|
1 ----- s-h potential -----
|
||
|
|
989.99558400 2 35.16209700
|
||
|
|
1 ----- p-h potential -----
|
||
|
|
278.86565200 2 19.46440200
|
||
|
|
1 ----- d-h potential -----
|
||
|
|
71.00917800 2 10.00686500
|
||
|
|
1 ----- f-h potential -----
|
||
|
|
-47.40589000 2 23.51793200
|
||
|
|
1 ----- g-h potential -----
|
||
|
|
-35.55714600 2 29.41223800
|
||
|
|
HF-ECP GEN 60 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
10.04672251 2 1.78576984
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
1499.28471073 2 14.76995900
|
||
|
|
40.28210136 2 7.38497940
|
||
|
|
-10.04672251 2 1.78576984
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
397.73300533 2 9.84948950
|
||
|
|
19.31640586 2 4.92474450
|
||
|
|
-10.04672251 2 1.78576984
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
101.32980526 2 6.09675640
|
||
|
|
5.87343821 2 3.04837820
|
||
|
|
-10.04672251 2 1.78576984
|
||
|
|
TA-ECP GEN 60 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
12.01796094 2 2.01788111
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
1345.88064703 2 14.54640770
|
||
|
|
36.76680620 2 7.27320380
|
||
|
|
-12.01796094 2 2.01788111
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
378.42530145 2 9.93556529
|
||
|
|
22.29309086 2 4.96778243
|
||
|
|
-12.01796094 2 2.01788111
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
104.88395571 2 6.34737691
|
||
|
|
8.75584805 2 3.17368846
|
||
|
|
-12.01796094 2 2.01788111
|
||
|
|
W-ECP GEN 60 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
14.15257947 2 2.25888846
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
1192.39588226 2 14.32285640
|
||
|
|
32.52293315 2 7.16142810
|
||
|
|
-14.15257947 2 2.25888846
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
359.03196711 2 10.02164110
|
||
|
|
24.03038019 2 5.01082040
|
||
|
|
-14.15257947 2 2.25888846
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
108.30134897 2 6.59799743
|
||
|
|
10.98252827 2 3.29899871
|
||
|
|
-14.15257947 2 2.25888846
|
||
|
|
RE-ECP GEN 60 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
16.44985227 2 2.50865059
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
1038.95157226 2 14.09930510
|
||
|
|
29.56173830 2 7.04965250
|
||
|
|
-16.44985227 2 2.50865059
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
339.54350965 2 10.10771690
|
||
|
|
24.91369646 2 5.05385830
|
||
|
|
-16.44985227 2 2.50865059
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
111.69965275 2 6.84861794
|
||
|
|
12.62432927 2 3.42430897
|
||
|
|
-16.44985227 2 2.50865059
|
||
|
|
OS-ECP GEN 60 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
18.90945701 2 2.76707510
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
885.40571914 2 13.87575390
|
||
|
|
25.96704014 2 6.93787690
|
||
|
|
-18.90945701 2 2.76707510
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
320.08390185 2 10.19379260
|
||
|
|
26.14876493 2 5.09689620
|
||
|
|
-18.90945701 2 2.76707510
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
115.04484313 2 7.09923846
|
||
|
|
13.62257457 2 3.54961923
|
||
|
|
-18.90945701 2 2.76707510
|
||
|
|
IR-ECP GEN 60 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
21.53103107 2 3.03407192
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
732.26919978 2 13.65220260
|
||
|
|
26.48472087 2 6.82610130
|
||
|
|
-21.53103107 2 3.03407192
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
299.48947357 2 10.27986840
|
||
|
|
26.46623354 2 5.13993410
|
||
|
|
-21.53103107 2 3.03407192
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
124.45759451 2 7.34985897
|
||
|
|
14.03599518 2 3.67492949
|
||
|
|
-21.53103107 2 3.03407192
|
||
|
|
PT-ECP GEN 60 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
24.31437573 2 3.30956857
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
579.22386092 2 13.42865130
|
||
|
|
29.66949062 2 6.71432560
|
||
|
|
-24.31437573 2 3.30956857
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
280.86077422 2 10.36594420
|
||
|
|
26.74538204 2 5.18297210
|
||
|
|
-24.31437573 2 3.30956857
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
120.39644429 2 7.60047949
|
||
|
|
15.81092058 2 3.80023974
|
||
|
|
-24.31437573 2 3.30956857
|
||
|
|
AU-ECP GEN 60 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
30.49008890 2 4.78982000
|
||
|
|
5.17107381 2 2.39491000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
426.84667920 2 13.20510000
|
||
|
|
37.00708285 2 6.60255000
|
||
|
|
-30.49008890 2 4.78982000
|
||
|
|
-5.17107381 2 2.39491000
|
||
|
|
4 ----- p-f potential -----
|
||
|
|
261.19958038 2 10.45202000
|
||
|
|
26.96249604 2 5.22601000
|
||
|
|
-30.49008890 2 4.78982000
|
||
|
|
-5.17107381 2 2.39491000
|
||
|
|
4 ----- d-f potential -----
|
||
|
|
124.79066561 2 7.85110000
|
||
|
|
16.30072573 2 3.92555000
|
||
|
|
-30.49008890 2 4.78982000
|
||
|
|
-5.17107381 2 2.39491000
|
||
|
|
HG-ECP GEN 60 3
|
||
|
|
1 ----- f-ul potential -----
|
||
|
|
30.36499643 2 3.88579112
|
||
|
|
3 ----- s-f potential -----
|
||
|
|
275.73721174 2 12.98154870
|
||
|
|
49.08921249 2 6.49077440
|
||
|
|
-30.36499643 2 3.88579112
|
||
|
|
3 ----- p-f potential -----
|
||
|
|
241.54007398 2 10.53809580
|
||
|
|
27.39659081 2 5.26904790
|
||
|
|
-30.36499643 2 3.88579112
|
||
|
|
3 ----- d-f potential -----
|
||
|
|
127.86700761 2 8.10172051
|
||
|
|
16.60831151 2 4.05086026
|
||
|
|
-30.36499643 2 3.88579112
|
||
|
|
TL-ECP GEN 60 3
|
||
|
|
4 ----- f-ul potential -----
|
||
|
|
15.82548800 2 5.62639900
|
||
|
|
21.10402100 2 5.54895200
|
||
|
|
2.91512700 2 2.87494600
|
||
|
|
3.89690300 2 2.82145100
|
||
|
|
6 ----- s-f potential -----
|
||
|
|
281.28466300 2 12.16780500
|
||
|
|
62.43425100 2 8.29490900
|
||
|
|
-15.82548800 2 5.62639900
|
||
|
|
-21.10402100 2 5.54895200
|
||
|
|
-2.91512700 2 2.87494600
|
||
|
|
-3.89690300 2 2.82145100
|
||
|
|
8 ----- p-f potential -----
|
||
|
|
4.63340800 2 7.15149200
|
||
|
|
9.34175600 2 5.17286500
|
||
|
|
72.29925300 2 9.89107200
|
||
|
|
144.55803700 2 9.00339100
|
||
|
|
-15.82548800 2 5.62639900
|
||
|
|
-21.10402100 2 5.54895200
|
||
|
|
-2.91512700 2 2.87494600
|
||
|
|
-3.89690300 2 2.82145100
|
||
|
|
8 ----- d-f potential -----
|
||
|
|
35.94303900 2 7.13021800
|
||
|
|
53.90959300 2 6.92690600
|
||
|
|
10.38193900 2 5.41757000
|
||
|
|
15.58382200 2 5.13868100
|
||
|
|
-15.82548800 2 5.62639900
|
||
|
|
-21.10402100 2 5.54895200
|
||
|
|
-2.91512700 2 2.87494600
|
||
|
|
-3.89690300 2 2.82145100
|
||
|
|
PB-ECP GEN 60 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
12.20989200 2 3.88751200
|
||
|
|
16.19029100 2 3.81196300
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
281.28549900 2 12.29630300
|
||
|
|
62.52021700 2 8.63263400
|
||
|
|
-12.20989200 2 3.88751200
|
||
|
|
-16.19029100 2 3.81196300
|
||
|
|
6 ----- p-f potential -----
|
||
|
|
72.27689700 2 10.24179000
|
||
|
|
144.59108300 2 8.92417600
|
||
|
|
4.75869300 2 6.58134200
|
||
|
|
9.94062100 2 6.25540300
|
||
|
|
-12.20989200 2 3.88751200
|
||
|
|
-16.19029100 2 3.81196300
|
||
|
|
6 ----- d-f potential -----
|
||
|
|
35.84850700 2 7.75433600
|
||
|
|
53.72434200 2 7.72028100
|
||
|
|
10.11525600 2 4.97026400
|
||
|
|
14.83373100 2 4.56378900
|
||
|
|
-12.20989200 2 3.88751200
|
||
|
|
-16.19029100 2 3.81196300
|
||
|
|
BI-ECP GEN 60 3
|
||
|
|
2 ----- f-ul potential -----
|
||
|
|
13.71338300 2 4.21454600
|
||
|
|
18.19430800 2 4.13340000
|
||
|
|
4 ----- s-f potential -----
|
||
|
|
283.26422700 2 13.04309000
|
||
|
|
62.47195900 2 8.22168200
|
||
|
|
-13.71338300 2 4.21454600
|
||
|
|
-18.19430800 2 4.13340000
|
||
|
|
6 ----- p-f potential -----
|
||
|
|
72.00149900 2 10.46777700
|
||
|
|
144.00227700 2 9.11890100
|
||
|
|
5.00794500 2 6.75479100
|
||
|
|
9.99155000 2 6.25259200
|
||
|
|
-13.71338300 2 4.21454600
|
||
|
|
-18.19430800 2 4.13340000
|
||
|
|
6 ----- d-f potential -----
|
||
|
|
36.39625900 2 8.08147400
|
||
|
|
54.59766400 2 7.89059500
|
||
|
|
9.98429400 2 4.95555600
|
||
|
|
14.98148500 2 4.70455900
|
||
|
|
-13.71338300 2 4.21454600
|
||
|
|
-18.19430800 2 4.13340000
|
||
|
|
PO-ECP GEN 60 3
|
||
|
|
4 ----- f-ul potential -----
|
||
|
|
17.42829500 2 5.01327000
|
||
|
|
23.38035300 2 4.98464000
|
||
|
|
0.16339200 2 1.32676000
|
||
|
|
0.32456600 2 1.52875800
|
||
|
|
6 ----- s-f potential -----
|
||
|
|
283.24470600 2 13.27722700
|
||
|
|
62.39646100 2 8.39951800
|
||
|
|
-17.42829500 2 5.01327000
|
||
|
|
-23.38035300 2 4.98464000
|
||
|
|
-0.16339200 2 1.32676000
|
||
|
|
-0.32456600 2 1.52875800
|
||
|
|
8 ----- p-f potential -----
|
||
|
|
71.99171600 2 10.66568200
|
||
|
|
143.97187100 2 9.28375300
|
||
|
|
4.94961500 2 6.87274900
|
||
|
|
9.74049900 2 6.32615000
|
||
|
|
-17.42829500 2 5.01327000
|
||
|
|
-23.38035300 2 4.98464000
|
||
|
|
-0.16339200 2 1.32676000
|
||
|
|
-0.32456600 2 1.52875800
|
||
|
|
8 ----- d-f potential -----
|
||
|
|
36.37838300 2 8.21486600
|
||
|
|
54.56271500 2 8.00869600
|
||
|
|
9.88949900 2 5.05522700
|
||
|
|
14.69387700 2 4.78255300
|
||
|
|
-17.42829500 2 5.01327000
|
||
|
|
-23.38035300 2 4.98464000
|
||
|
|
-0.16339200 2 1.32676000
|
||
|
|
-0.32456600 2 1.52875800
|
||
|
|
AT-ECP GEN 60 3
|
||
|
|
4 ----- f-ul potential -----
|
||
|
|
19.87019800 2 5.81216300
|
||
|
|
26.41645200 2 5.75371500
|
||
|
|
0.99497000 2 2.51347200
|
||
|
|
1.49070100 2 2.53626100
|
||
|
|
7 ----- s-f potential -----
|
||
|
|
49.95715800 2 30.20083200
|
||
|
|
283.21037100 2 13.61230600
|
||
|
|
62.28105200 2 8.52934000
|
||
|
|
-19.87019800 2 5.81216300
|
||
|
|
-26.41645200 2 5.75371500
|
||
|
|
-0.99497000 2 2.51347200
|
||
|
|
-1.49070100 2 2.53626100
|
||
|
|
8 ----- p-f potential -----
|
||
|
|
71.98237100 2 10.85406500
|
||
|
|
143.90353200 2 9.46822900
|
||
|
|
4.87175900 2 7.03111400
|
||
|
|
8.98305900 2 6.14385800
|
||
|
|
-19.87019800 2 5.81216300
|
||
|
|
-26.41645200 2 5.75371500
|
||
|
|
-0.99497000 2 2.51347200
|
||
|
|
-1.49070100 2 2.53626100
|
||
|
|
8 ----- d-f potential -----
|
||
|
|
36.36323700 2 8.31351500
|
||
|
|
54.54897000 2 7.99896500
|
||
|
|
9.77628500 2 5.17996600
|
||
|
|
14.26475500 2 4.94222600
|
||
|
|
-19.87019800 2 5.81216300
|
||
|
|
-26.41645200 2 5.75371500
|
||
|
|
-0.99497000 2 2.51347200
|
||
|
|
-1.49070100 2 2.53626100
|
||
|
|
RN-ECP GEN 60 3
|
||
|
|
4 ----- f-ul potential -----
|
||
|
|
21.79729000 2 6.34857100
|
||
|
|
28.94680500 2 6.29594900
|
||
|
|
1.44736500 2 2.88211800
|
||
|
|
2.17796400 2 2.90804800
|
||
|
|
7 ----- s-f potential -----
|
||
|
|
49.96555100 2 30.15124200
|
||
|
|
283.07000000 2 14.52124100
|
||
|
|
62.00287000 2 8.05203800
|
||
|
|
-21.79729000 2 6.34857100
|
||
|
|
-28.94680500 2 6.29594900
|
||
|
|
-1.44736500 2 2.88211800
|
||
|
|
-2.17796400 2 2.90804800
|
||
|
|
8 ----- p-f potential -----
|
||
|
|
71.96911900 2 11.00994200
|
||
|
|
143.86055900 2 9.61762500
|
||
|
|
4.71476100 2 7.33600800
|
||
|
|
9.01306500 2 6.40625300
|
||
|
|
-21.79729000 2 6.34857100
|
||
|
|
-28.94680500 2 6.29594900
|
||
|
|
-1.44736500 2 2.88211800
|
||
|
|
-2.17796400 2 2.90804800
|
||
|
|
8 ----- d-f potential -----
|
||
|
|
36.36836500 2 8.36922000
|
||
|
|
54.55176100 2 8.11697500
|
||
|
|
9.63448700 2 5.35365600
|
||
|
|
14.38790200 2 5.09721200
|
||
|
|
-21.79729000 2 6.34857100
|
||
|
|
-28.94680500 2 6.29594900
|
||
|
|
-1.44736500 2 2.88211800
|
||
|
|
-2.17796400 2 2.90804800
|
||
|
|
$END
|