mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 13:53:29 +01:00
1312 lines
43 KiB
Plaintext
1312 lines
43 KiB
Plaintext
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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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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LITHIUM
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S 5
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1 3341.4028812 0.68825734949E-03
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2 500.95159311 0.53296429956E-02
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3 114.01103106 0.27564373644E-01
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4 32.265473060 0.10988242563
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5 10.472058523 0.33943049245
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S 1
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1 3.6978284154 1.0000000
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S 1
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1 1.3712085293 1.0000000
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S 1
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1 0.51908459878 1.0000000
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S 1
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1 0.074532887051 1.0000000
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S 1
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1 0.028233600086 1.0000000
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BERYLLIUM
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S 5
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1 6526.1477796 0.43731739709E-03
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2 978.35496417 0.33882071951E-02
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3 222.65865756 0.17563085078E-01
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4 63.013028281 0.70580481326E-01
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5 20.468720182 0.22263836234
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S 1
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1 7.2692487387 1.0000000
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S 1
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1 2.7393701115 1.0000000
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S 1
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1 1.0615791118 1.0000000
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S 1
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1 0.18158440185 1.0000000
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S 1
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1 0.058826820039 1.0000000
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BORON
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S 5
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1 5658.4992000 0.55208327E-03
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2 848.6970300 0.42651420E-02
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3 193.1365600 0.21853165E-01
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4 54.5863170 0.84570678E-01
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5 17.6001260 0.24304764
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S 1
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1 6.1269618 1.0000000
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S 1
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1 2.2245270 1.0000000
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S 1
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1 0.55650352 1.0000000
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S 1
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1 0.23876229 1.0000000
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S 1
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1 0.85793955E-01 1.0000000
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P 4
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1 22.4558020 -0.50260621E-02
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2 5.1030675 -0.32826976E-01
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3 1.4984096 -0.13140941
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4 0.50989073 -0.33125264
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P 1
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1 0.18191350 1.0000000
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P 1
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1 0.64827183E-01 1.0000000
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CARBON
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S 5
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1 8506.0384000 0.53373664E-03
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2 1275.7329000 0.41250232E-02
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3 290.3118700 0.21171337E-01
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4 82.0562000 0.82417860E-01
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5 26.4796410 0.24012858
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S 1
|
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1 9.2414585 1.0000000
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S 1
|
|
1 3.3643530 1.0000000
|
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S 1
|
|
1 0.87174164 1.0000000
|
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S 1
|
|
1 0.36352352 1.0000000
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S 1
|
|
1 0.12873135 1.0000000
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P 4
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1 34.7094960 0.53300974E-02
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2 7.9590883 0.35865814E-01
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3 2.3786972 0.14200299
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4 0.81540065 0.34203105
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P 1
|
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1 0.28953785 1.0000000
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P 1
|
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1 0.10084754 1.0000000
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NITROGEN
|
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S 5
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1 11913.4167560 -0.52297017365E-03
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2 1786.7213834 -0.40428404036E-02
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3 406.59012834 -0.20772715125E-01
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4 114.92525065 -0.81183137849E-01
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5 37.105883422 -0.23871497395
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S 1
|
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1 12.971676198 1.0000000
|
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S 1
|
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1 4.7302291164 1.0000000
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S 1
|
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1 1.2525184258 1.0000000
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S 1
|
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1 0.51260071231 1.0000000
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S 1
|
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1 0.17939714002 1.0000000
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P 4
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1 49.218758392 0.55526953476E-02
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2 11.348935304 0.38054617957E-01
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3 3.4285088246 0.14941412242
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4 1.1799512559 0.34898187368
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P 1
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1 0.41726122577 1.0000000
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P 1
|
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1 0.14295131280 1.0000000
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OXYGEN
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S 5
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1 15902.6474590 0.51499803703E-03
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2 2384.9537829 0.39819764428E-02
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3 542.71957182 0.20476971922E-01
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4 153.40407874 0.80262367915E-01
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5 49.545716140 0.23766839947
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S 1
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1 17.339649897 1.0000000
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S 1
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1 6.3303355272 1.0000000
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S 1
|
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1 1.6995882201 1.0000000
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S 1
|
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1 0.68954491271 1.0000000
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S 1
|
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1 0.23936028181 1.0000000
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P 4
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1 63.270524011 0.60709205960E-02
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2 14.623312295 0.41947688723E-01
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3 4.4489518003 0.16156883988
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4 1.5281513180 0.35682779292
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P 1
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1 0.52997315870 1.0000000
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P 1
|
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1 0.17509445998 1.0000000
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FLUORINE
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S 5
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1 20450.4890000 0.51103495E-03
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2 3066.9547000 0.39518820E-02
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3 697.9100300 0.20334553E-01
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4 197.2702000 0.79876480E-01
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5 63.7283430 0.23775601
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S 1
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1 22.3218090 1.0000000
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S 1
|
|
1 8.1557609 1.0000000
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S 1
|
|
1 2.2114295 1.0000000
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|
S 1
|
|
1 0.89038567 1.0000000
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|
S 1
|
|
1 0.30696604 1.0000000
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P 4
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1 80.2180200 0.63744464E-02
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2 18.5872810 0.44360191E-01
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3 5.6844581 0.16880038
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4 1.9512781 0.36162979
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P 1
|
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1 0.67024114 1.0000000
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P 1
|
|
1 0.21682252 1.0000000
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NEON
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S 5
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1 25558.3983200 -0.50572691973E-03
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2 3832.9404804 -0.39112485853E-02
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3 872.21073777 -0.20134823525E-01
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4 246.53755414 -0.79223427275E-01
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5 79.658394864 -0.23675798479
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S 1
|
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1 27.919799646 1.0000000
|
|
S 1
|
|
1 10.207131664 1.0000000
|
|
S 1
|
|
1 2.7883186671 1.0000000
|
|
S 1
|
|
1 1.1153994748 1.0000000
|
|
S 1
|
|
1 0.38234010539 1.0000000
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P 4
|
|
1 99.760966431 0.65648661623E-02
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|
2 23.167688953 0.45958151534E-01
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3 7.1133898669 0.17349981025
|
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4 2.4418574365 0.36486075150
|
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P 1
|
|
1 0.83442063174 1.0000000
|
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P 1
|
|
1 0.26639881093 1.0000000
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|
|
SODIUM
|
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S 5
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1 48876.1981470 0.30495709844E-03
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2 7327.2863708 0.23632832600E-02
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3 1667.4194652 0.12268450799E-01
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4 471.58101196 0.49625176611E-01
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5 152.93669811 0.15949591775
|
|
S 1
|
|
1 54.355855466 1.0000000
|
|
S 2
|
|
1 20.765222811 0.40072046428
|
|
2 8.3599495733 0.18337372711
|
|
S 1
|
|
1 2.1480945935 1.0000000
|
|
S 1
|
|
1 0.68819414237 1.0000000
|
|
S 1
|
|
1 0.60477104119E-01 1.0000000
|
|
S 1
|
|
1 0.27134094349E-01 1.0000000
|
|
P 5
|
|
1 137.96254761 0.59264627843E-02
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2 32.209105361 0.42543992714E-01
|
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3 9.9746379096 0.16644534833
|
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4 3.4780930022 0.36814914529
|
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5 1.2284371548 0.45781035245
|
|
P 1
|
|
1 0.41731936406 1.0000000
|
|
|
|
MAGNESIUM
|
|
S 5
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1 58088.3497780 0.29217969831E-03
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2 8708.1180998 0.22644236655E-02
|
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3 1981.6224182 0.11756039870E-01
|
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4 560.43985997 0.47569943176E-01
|
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5 181.72976108 0.15308047897
|
|
S 1
|
|
1 64.603335729 1.0000000
|
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S 2
|
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1 24.742144670 0.39883560596
|
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2 10.024664716 0.18188815212
|
|
S 1
|
|
1 2.6947441296 1.0000000
|
|
S 1
|
|
1 0.91145251920 1.0000000
|
|
S 1
|
|
1 0.10689673012 1.0000000
|
|
S 1
|
|
1 0.40091617095E-01 1.0000000
|
|
P 5
|
|
1 179.83372724 0.53819769156E-02
|
|
2 42.113096664 0.39325751769E-01
|
|
3 13.117353775 0.15749044059
|
|
4 4.6229435410 0.35940560820
|
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5 1.6685785801 0.45516229985
|
|
P 1
|
|
1 0.58547797230 1.0000000
|
|
|
|
ALUMINUM
|
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S 5
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1 68090.4116770 0.28412905423E-03
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2 10207.5408220 0.22020699743E-02
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3 2322.8045854 0.11433443851E-01
|
|
4 656.88653838 0.46284585620E-01
|
|
5 212.96694104 0.14910565793
|
|
S 1
|
|
1 75.724716585 1.0000000
|
|
S 2
|
|
1 29.076320024 0.41663518108
|
|
2 11.859623934 0.18978371361
|
|
S 1
|
|
1 3.3162153181 1.0000000
|
|
S 1
|
|
1 1.1754788791 1.0000000
|
|
S 1
|
|
1 0.17520528550 1.0000000
|
|
S 1
|
|
1 0.64758746484E-01 1.0000000
|
|
P 5
|
|
1 442.79182587 0.16391118430E-02
|
|
2 104.75988837 0.13143515460E-01
|
|
3 33.375979447 0.61497708063E-01
|
|
4 12.305387957 0.18825908851
|
|
5 4.8642475706 0.36062611202
|
|
P 1
|
|
1 1.9604027100 1.0000000
|
|
P 1
|
|
1 0.78436733817 1.0000000
|
|
P 1
|
|
1 0.19014165079 1.0000000
|
|
P 1
|
|
1 0.55874372985E-01 1.0000000
|
|
|
|
SILICON
|
|
S 5
|
|
1 79079.4340000 0.26431386E-03
|
|
2 11855.0100000 0.20485143E-02
|
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3 2697.7051000 0.10637241E-01
|
|
4 762.8722700 0.43082477E-01
|
|
5 247.2845500 0.13898279
|
|
S 1
|
|
1 87.9312400 1.0000000
|
|
S 2
|
|
1 33.8232840 0.44071543
|
|
2 13.8681080 0.20091165
|
|
S 1
|
|
1 3.9920017 1.0000000
|
|
S 1
|
|
1 1.4659925 1.0000000
|
|
S 1
|
|
1 0.25271086 1.0000000
|
|
S 1
|
|
1 0.92491673E-01 1.0000000
|
|
P 5
|
|
1 483.0235200 0.19161547E-02
|
|
2 114.2508100 0.15309765E-01
|
|
3 36.3877860 0.71094358E-01
|
|
4 13.4117040 0.21243244
|
|
5 5.2884033 0.38976302
|
|
P 1
|
|
1 2.1374219 1.0000000
|
|
P 1
|
|
1 0.86468463 1.0000000
|
|
P 1
|
|
1 0.25489855 1.0000000
|
|
P 1
|
|
1 0.79397031E-01 1.0000000
|
|
|
|
PHOSPHORUS
|
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S 5
|
|
1 91049.0495250 0.25380174651E-03
|
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2 13649.2488640 0.19671239007E-02
|
|
3 3105.9432074 0.10216063035E-01
|
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4 878.25982630 0.41399162020E-01
|
|
5 284.63392907 0.13375414976
|
|
S 1
|
|
1 101.20610005 1.0000000
|
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S 2
|
|
1 38.977841424 0.45416113007
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|
2 16.048494073 0.20742198000
|
|
S 1
|
|
1 4.7225339088 1.0000000
|
|
S 1
|
|
1 1.7825221852 1.0000000
|
|
S 1
|
|
1 0.33962967880 1.0000000
|
|
S 1
|
|
1 0.12333859847 1.0000000
|
|
P 5
|
|
1 528.44389328 -0.22815190152E-02
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|
2 124.97149951 -0.18183642042E-01
|
|
3 39.795709248 -0.83940700526E-01
|
|
4 14.657544973 -0.24604713872
|
|
5 5.7578892754 -0.43655667531
|
|
P 1
|
|
1 2.3123200955 1.0000000
|
|
P 1
|
|
1 0.88993780996 1.0000000
|
|
P 1
|
|
1 0.30467149910 1.0000000
|
|
P 1
|
|
1 0.10078153964 1.0000000
|
|
|
|
SULFUR
|
|
S 5
|
|
1 103953.9500000 0.24742717E-03
|
|
2 15583.7860000 0.19177683E-02
|
|
3 3546.1293000 0.99609995E-02
|
|
4 1002.6808000 0.40386429E-01
|
|
5 324.9028800 0.13067523
|
|
S 1
|
|
1 115.5122500 1.0000000
|
|
S 2
|
|
1 44.5282100 0.50403551
|
|
2 18.3978920 0.23068051
|
|
S 1
|
|
1 5.5100683 1.0000000
|
|
S 1
|
|
1 2.1259867 1.0000000
|
|
S 1
|
|
1 0.43691893 1.0000000
|
|
S 1
|
|
1 0.15730851 1.0000000
|
|
P 5
|
|
1 606.6936700 0.23229645E-02
|
|
2 143.5069600 0.18570532E-01
|
|
3 45.7461600 0.86032740E-01
|
|
4 16.8729120 0.25248431
|
|
5 6.6399196 0.44632742
|
|
P 1
|
|
1 2.6727135 1.0000000
|
|
P 1
|
|
1 1.0000089 1.0000000
|
|
P 1
|
|
1 0.35438942 1.0000000
|
|
P 1
|
|
1 0.11671305 1.0000000
|
|
|
|
CHLORINE
|
|
S 5
|
|
1 117805.7900000 0.24180754E-03
|
|
2 17660.2650000 0.18742680E-02
|
|
3 4018.5973000 0.97362935E-02
|
|
4 1136.2231000 0.39494746E-01
|
|
5 368.1206200 0.12797166
|
|
S 1
|
|
1 130.8615400 1.0000000
|
|
S 2
|
|
1 50.4790110 0.42874094
|
|
2 20.9168050 0.19668493
|
|
S 1
|
|
1 6.3531388 1.0000000
|
|
S 1
|
|
1 2.4948014 1.0000000
|
|
S 1
|
|
1 0.54335948 1.0000000
|
|
S 1
|
|
1 0.19434366 1.0000000
|
|
P 5
|
|
1 681.0687900 0.23658930E-02
|
|
2 161.1135900 0.18940717E-01
|
|
3 51.3866370 0.87845134E-01
|
|
4 18.9585120 0.25707435
|
|
5 3.0035158 0.37152361
|
|
P 1
|
|
1 7.4565293 1.0000000
|
|
P 1
|
|
1 1.0609361 1.0000000
|
|
P 1
|
|
1 0.39452023 1.0000000
|
|
P 1
|
|
1 0.13323279 1.0000000
|
|
|
|
ARGON
|
|
S 5
|
|
1 132594.7425500 0.25484115161E-03
|
|
2 19877.2100510 0.19753348790E-02
|
|
3 4523.0525989 0.10262456947E-01
|
|
4 1278.8031045 0.41648674748E-01
|
|
5 414.25618940 0.13513377050
|
|
S 1
|
|
1 147.24194110 1.0000000
|
|
S 2
|
|
1 56.826155381 0.45141632881
|
|
2 23.604085976 0.20758832418
|
|
S 1
|
|
1 7.2524952042 1.0000000
|
|
S 1
|
|
1 2.8892979871 1.0000000
|
|
S 1
|
|
1 0.65887982702 1.0000000
|
|
S 1
|
|
1 0.23439561082 1.0000000
|
|
P 5
|
|
1 828.33969804 0.21773039337E-02
|
|
2 196.06510758 0.17597443242E-01
|
|
3 62.681227585 0.82905921393E-01
|
|
4 23.225077844 0.24934102921
|
|
5 9.2167815494 0.45327280638
|
|
P 1
|
|
1 3.7595532955 1.0000000
|
|
P 1
|
|
1 1.4316785909 1.0000000
|
|
P 1
|
|
1 0.51298266102 1.0000000
|
|
P 1
|
|
1 0.16821486947 1.0000000
|
|
|
|
POTASSIUM
|
|
S 6
|
|
1 182594.2732400 -0.22774735930E-03
|
|
2 27369.0049860 -0.17663987129E-02
|
|
3 6229.1737971 -0.91949712091E-02
|
|
4 1764.5823486 -0.37455084336E-01
|
|
5 577.05120588 -0.12204454437
|
|
6 210.24933364 -0.29898972079
|
|
S 2
|
|
1 82.617830641 -0.40514697026
|
|
2 33.233184522 -0.29253151429
|
|
S 1
|
|
1 8.1064902102 1.0000000
|
|
S 1
|
|
1 3.3340258818 1.0000000
|
|
S 1
|
|
1 0.84554422261 1.0000000
|
|
S 1
|
|
1 0.32821626529 1.0000000
|
|
S 1
|
|
1 0.36403528487E-01 1.0000000
|
|
S 1
|
|
1 0.17646286458E-01 1.0000000
|
|
P 3
|
|
1 891.05446872 0.21842914244E-02
|
|
2 211.01581996 0.17589110824E-01
|
|
3 67.671412378 0.81777473118E-01
|
|
P 3
|
|
1 25.271488100 0.24565631884
|
|
2 10.138958969 0.43398376891
|
|
3 4.2018627167 0.36237664939
|
|
P 1
|
|
1 1.6029467214 1.0000000
|
|
P 1
|
|
1 0.61461253051 1.0000000
|
|
P 1
|
|
1 0.22199300786 1.0000000
|
|
|
|
CALCIUM
|
|
S 6
|
|
1 202698.9551900 0.22296378333E-03
|
|
2 30382.4659150 0.17293186572E-02
|
|
3 6915.0833150 0.90022631781E-02
|
|
4 1959.0210984 0.36669888420E-01
|
|
5 640.93602075 0.11940987210
|
|
6 233.97696836 0.29182526071
|
|
S 2
|
|
1 92.289198312 0.40441527991
|
|
2 37.254479906 0.29631288855
|
|
S 1
|
|
1 9.1319843289 1.0000000
|
|
S 1
|
|
1 3.8177857927 1.0000000
|
|
S 1
|
|
1 1.0493475069 1.0000000
|
|
S 1
|
|
1 0.42865991519 1.0000000
|
|
S 1
|
|
1 0.62822638980E-01 1.0000000
|
|
S 1
|
|
1 0.26016237865E-01 1.0000000
|
|
P 3
|
|
1 1019.7607638 -0.20598575277E-02
|
|
2 241.59630759 -0.16650079815E-01
|
|
3 77.637012084 -0.77764602312E-01
|
|
P 3
|
|
1 29.115419425 -0.24180561237
|
|
2 11.762593591 -0.43257798682
|
|
3 4.9228924219 -0.36732481536
|
|
P 1
|
|
1 1.9223257245 1.0000000
|
|
P 1
|
|
1 0.75796196942 1.0000000
|
|
P 1
|
|
1 0.28430199095 1.0000000
|
|
|
|
SCANDIUM
|
|
S 6
|
|
1 224356.9429700 0.21995956274E-03
|
|
2 33628.7060600 0.17060418888E-02
|
|
3 7654.0171483 0.88815294669E-02
|
|
4 2168.4396566 0.36183704997E-01
|
|
5 709.62663857 0.11783926752
|
|
6 259.31731327 0.28791645141
|
|
S 2
|
|
1 102.47803758 0.36705138717
|
|
2 41.443139691 0.27161995906
|
|
S 1
|
|
1 10.201855624 1.0000000
|
|
S 1
|
|
1 4.3044982698 1.0000000
|
|
S 1
|
|
1 1.2219457424 1.0000000
|
|
S 1
|
|
1 0.49725181441 1.0000000
|
|
S 1
|
|
1 0.72728077521E-01 1.0000000
|
|
S 1
|
|
1 0.29393829275E-01 1.0000000
|
|
P 3
|
|
1 1154.9909592 0.20102722718E-02
|
|
2 273.70496612 0.16305069846E-01
|
|
3 88.069327311 0.76527889024E-01
|
|
P 3
|
|
1 33.110760026 0.23950904039
|
|
2 13.436440751 0.43235380227
|
|
3 5.6580984638 0.36969429392
|
|
P 1
|
|
1 2.2436704314 1.0000000
|
|
P 1
|
|
1 0.88798004276 1.0000000
|
|
P 1
|
|
1 0.33282409733 1.0000000
|
|
D 3
|
|
1 19.238524038 0.27054664721E-01
|
|
2 5.1173305876 0.13813249967
|
|
3 1.6549883906 0.34895303019
|
|
D 1
|
|
1 0.54017604591 1.0000000
|
|
D 1
|
|
1 0.16210625295 1.0000000
|
|
|
|
TITANIUM
|
|
S 6
|
|
1 247254.2047200 -0.22396329076E-03
|
|
2 37060.7475770 -0.17371198985E-02
|
|
3 8435.1700312 -0.90439019438E-02
|
|
4 2389.8299020 -0.36850817255E-01
|
|
5 782.23119870 -0.12004207715
|
|
6 286.06776406 -0.29336894009
|
|
S 2
|
|
1 113.20644330 -0.39817814792
|
|
2 45.845720390 -0.29713034199
|
|
S 1
|
|
1 11.328524813 1.0000000
|
|
S 1
|
|
1 4.8125219381 1.0000000
|
|
S 1
|
|
1 1.3957658690 1.0000000
|
|
S 1
|
|
1 0.56327895193 1.0000000
|
|
S 1
|
|
1 0.80512959315E-01 1.0000000
|
|
S 1
|
|
1 0.31926457804E-01 1.0000000
|
|
P 3
|
|
1 1298.4162107 0.20247352194E-02
|
|
2 307.75625781 0.16472586005E-01
|
|
3 99.131233927 0.77667284617E-01
|
|
P 3
|
|
1 37.345305562 0.24328819985
|
|
2 15.210712602 0.44259359185
|
|
3 6.4368981418 0.38049635541
|
|
P 1
|
|
1 2.5843928911 1.0000000
|
|
P 1
|
|
1 1.0229993308 1.0000000
|
|
P 1
|
|
1 0.38233959020 1.0000000
|
|
D 3
|
|
1 23.465751001 0.26542832716E-01
|
|
2 6.3332300693 0.13802284593
|
|
3 2.0764079893 0.35327842933
|
|
D 1
|
|
1 0.69041160389 1.0000000
|
|
D 1
|
|
1 0.21092515216 1.0000000
|
|
|
|
VANADIUM
|
|
S 6
|
|
1 271348.1594400 0.21967094878E-03
|
|
2 40672.0050780 0.17038606460E-02
|
|
3 9257.0761385 0.88713720876E-02
|
|
4 2622.7328773 0.36154324518E-01
|
|
5 858.59480185 0.11780890759
|
|
6 314.19418650 0.28802536159
|
|
S 2
|
|
1 124.47862127 0.42757917273
|
|
2 50.469399309 0.32144231329
|
|
S 1
|
|
1 12.513846911 1.0000000
|
|
S 1
|
|
1 5.3447758082 1.0000000
|
|
S 1
|
|
1 1.5755631295 1.0000000
|
|
S 1
|
|
1 0.63069033066 1.0000000
|
|
S 1
|
|
1 0.87954441572E-01 1.0000000
|
|
S 1
|
|
1 0.34296919737E-01 1.0000000
|
|
P 3
|
|
1 1450.0319327 -0.19517397096E-02
|
|
2 343.75049884 -0.15922014237E-01
|
|
3 110.82521708 -0.75385260252E-01
|
|
P 3
|
|
1 41.822464546 -0.23665641316
|
|
2 17.088073710 -0.43346919871
|
|
3 7.2613218939 -0.37433001350
|
|
P 1
|
|
1 2.9458145262 1.0000000
|
|
P 1
|
|
1 1.1650209680 1.0000000
|
|
P 1
|
|
1 0.43399378389 1.0000000
|
|
D 3
|
|
1 27.360335864 0.26644270033E-01
|
|
2 7.4542765527 0.13999436471
|
|
3 2.4632270217 0.35761186435
|
|
D 1
|
|
1 0.82499542440 1.0000000
|
|
D 1
|
|
1 0.25262970572 1.0000000
|
|
|
|
CHROMIUM
|
|
S 6
|
|
1 296910.3817500 0.21631828095E-03
|
|
2 44503.2979810 0.16778892320E-02
|
|
3 10129.0837310 0.87367682069E-02
|
|
4 2869.8125395 0.35614011193E-01
|
|
5 939.52851828 0.11612081564
|
|
6 343.87667562 0.28429365944
|
|
S 2
|
|
1 136.27242081 0.39618804755
|
|
2 55.274935910 0.29934143453
|
|
S 1
|
|
1 13.753715065 1.0000000
|
|
S 1
|
|
1 5.8893064458 1.0000000
|
|
S 1
|
|
1 1.7366781917 1.0000000
|
|
S 1
|
|
1 0.67619018171 1.0000000
|
|
S 1
|
|
1 0.92187616038E-01 1.0000000
|
|
S 1
|
|
1 0.36120107071E-01 1.0000000
|
|
P 3
|
|
1 1608.8743670 0.19364463670E-02
|
|
2 381.42987006 0.15839007300E-01
|
|
3 123.01926841 0.75350154154E-01
|
|
P 3
|
|
1 46.446782128 0.23949451398
|
|
2 19.003494760 0.44099403119
|
|
3 8.0889965397 0.38019975560
|
|
P 1
|
|
1 3.3013703884 1.0000000
|
|
P 1
|
|
1 1.2877624138 1.0000000
|
|
P 1
|
|
1 0.46546844260 1.0000000
|
|
D 3
|
|
1 27.546733731 0.30633260432E-01
|
|
2 7.4647940726 0.15604065673
|
|
3 2.4327524296 0.37003057780
|
|
D 1
|
|
1 0.78187817732 1.0000000
|
|
D 1
|
|
1 0.21977377631 1.0000000
|
|
|
|
MANGANESE
|
|
S 6
|
|
1 323081.7447500 -0.21859070020E-03
|
|
2 48425.9871470 -0.16955363594E-02
|
|
3 11021.9284210 -0.88290480374E-02
|
|
4 3122.8651683 -0.35993860594E-01
|
|
5 1022.5702211 -0.11736441426
|
|
6 374.56667732 -0.28725942760
|
|
S 2
|
|
1 148.65013953 -0.38025987789
|
|
2 60.379056785 -0.28945410868
|
|
S 1
|
|
1 15.061289037 1.0000000
|
|
S 1
|
|
1 6.4827687206 1.0000000
|
|
S 1
|
|
1 1.9535131494 1.0000000
|
|
S 1
|
|
1 0.77017850250 1.0000000
|
|
S 1
|
|
1 0.10192025361 1.0000000
|
|
S 1
|
|
1 0.38619748377E-01 1.0000000
|
|
P 3
|
|
1 1777.8786824 -0.19331617534E-02
|
|
2 421.57754180 -0.15844007165E-01
|
|
3 136.11333999 -0.75568981168E-01
|
|
P 3
|
|
1 51.506778634 -0.23597435106
|
|
2 21.153225441 -0.43718791573
|
|
3 9.0477144185 -0.38024192504
|
|
P 1
|
|
1 3.7308563614 1.0000000
|
|
P 1
|
|
1 1.4705331536 1.0000000
|
|
P 1
|
|
1 0.54391840977 1.0000000
|
|
D 3
|
|
1 35.424816646 0.28270751938E-01
|
|
2 9.7813282131 0.15071665458
|
|
3 3.2670712909 0.38158552024
|
|
D 1
|
|
1 1.1028271910 1.0000000
|
|
D 1
|
|
1 0.33748086571 1.0000000
|
|
|
|
IRON
|
|
S 6
|
|
1 350644.1260700 0.21930425610E-03
|
|
2 52557.1044770 0.17010935336E-02
|
|
3 11962.1576030 0.88585173662E-02
|
|
4 3389.2987902 0.36119369310E-01
|
|
5 1109.9409814 0.11780528034
|
|
6 406.75892124 0.28846626172
|
|
S 2
|
|
1 161.55419196 0.38162019329
|
|
2 65.675211180 0.29212575148
|
|
S 1
|
|
1 16.425713224 1.0000000
|
|
S 1
|
|
1 7.0930281780 1.0000000
|
|
S 1
|
|
1 2.1594285091 1.0000000
|
|
S 1
|
|
1 0.84771349067 1.0000000
|
|
S 1
|
|
1 0.11079496206 1.0000000
|
|
S 1
|
|
1 0.41316804349E-01 1.0000000
|
|
P 3
|
|
1 1953.6045319 0.19381610539E-02
|
|
2 463.29314066 0.15916196664E-01
|
|
3 149.67493331 0.76149150478E-01
|
|
P 3
|
|
1 56.707112031 0.23624430461
|
|
2 23.341028866 0.43978884628
|
|
3 10.011393164 0.38362585555
|
|
P 1
|
|
1 4.1564019580 1.0000000
|
|
P 1
|
|
1 1.6369582567 1.0000000
|
|
P 1
|
|
1 0.60376297473 1.0000000
|
|
D 3
|
|
1 38.966442392 0.2788406771E-01
|
|
2 10.798970877 0.1486313493
|
|
3 3.6129748398 0.3691295870
|
|
D 1
|
|
1 1.2130285825 1.0000000
|
|
D 1
|
|
1 0.36523978460 1.0000000
|
|
|
|
COBALT
|
|
S 6
|
|
1 379411.7746100 -0.21547910180E-03
|
|
2 56868.9343960 -0.16714437766E-02
|
|
3 12943.6084620 -0.87044472982E-02
|
|
4 3667.4532601 -0.35496174518E-01
|
|
5 1201.1404591 -0.11581023244
|
|
6 440.33919478 -0.28374608041
|
|
S 2
|
|
1 175.00035297 -0.38404172517
|
|
2 71.190981549 -0.29545416341
|
|
S 1
|
|
1 17.849007924 1.0000000
|
|
S 1
|
|
1 7.7276070252 1.0000000
|
|
S 1
|
|
1 2.3708060829 1.0000000
|
|
S 1
|
|
1 0.92628271613 1.0000000
|
|
S 1
|
|
1 0.11908620529 1.0000000
|
|
S 1
|
|
1 0.43782392241E-01 1.0000000
|
|
P 3
|
|
1 2137.6007768 -0.19057939757E-02
|
|
2 506.97292174 -0.15678387875E-01
|
|
3 163.87524881 -0.75229629993E-01
|
|
P 3
|
|
1 62.151898991 -0.23369231380
|
|
2 25.632331435 -0.43693103212
|
|
3 11.020739027 -0.38210863080
|
|
P 1
|
|
1 4.6024341479 1.0000000
|
|
P 1
|
|
1 1.8102832176 1.0000000
|
|
P 1
|
|
1 0.66569223705 1.0000000
|
|
D 3
|
|
1 42.924372777 0.29754871320E-01
|
|
2 11.940809601 0.15885714484
|
|
3 4.0037210467 0.38970617758
|
|
D 1
|
|
1 1.3412566852 1.0000000
|
|
D 1
|
|
1 0.40011241880 1.0000000
|
|
|
|
NICKEL
|
|
S 6
|
|
1 409347.8689900 0.21251775671E-03
|
|
2 61355.8392550 0.16484929893E-02
|
|
3 13964.8581280 0.85853287121E-02
|
|
4 3956.8598699 0.35015333983E-01
|
|
5 1296.0290474 0.11427672717
|
|
6 475.27876516 0.28015249519
|
|
S 2
|
|
1 188.98838775 0.39246284244
|
|
2 76.928736976 0.30331302178
|
|
S 1
|
|
1 19.331828730 1.0000000
|
|
S 1
|
|
1 8.3876399732 1.0000000
|
|
S 1
|
|
1 2.5894342897 1.0000000
|
|
S 1
|
|
1 1.0071374699 1.0000000
|
|
S 1
|
|
1 0.12732573122 1.0000000
|
|
S 1
|
|
1 0.46189806319E-01 1.0000000
|
|
P 3
|
|
1 2329.8384386 -0.18414189988E-02
|
|
2 552.60693015 -0.15173689070E-01
|
|
3 178.71193584 -0.73004669649E-01
|
|
P 3
|
|
1 67.841750813 -0.23224844852
|
|
2 28.028033533 -0.43596047040
|
|
3 12.076469199 -0.38213785733
|
|
P 1
|
|
1 5.0694186684 1.0000000
|
|
P 1
|
|
1 1.9911895236 1.0000000
|
|
P 1
|
|
1 0.73006887823 1.0000000
|
|
D 3
|
|
1 47.088303645 0.31522580302E-01
|
|
2 13.144067226 0.16855325691
|
|
3 4.4158589541 0.40930004652
|
|
D 1
|
|
1 1.4769996640 1.0000000
|
|
D 1
|
|
1 0.43728964755 1.0000000
|
|
|
|
COPPER
|
|
S 6
|
|
1 441087.2507000 -0.21814173104E-03
|
|
2 66112.0211870 -0.16921935882E-02
|
|
3 15047.0114250 -0.88137131631E-02
|
|
4 4263.4273084 -0.35954659517E-01
|
|
5 1396.3815797 -0.11742970473
|
|
6 511.96055788 -0.28844267427
|
|
S 2
|
|
1 203.45426948 -0.42678898925
|
|
2 82.792337027 -0.33044128545
|
|
S 1
|
|
1 20.854285634 1.0000000
|
|
S 1
|
|
1 9.0410679584 1.0000000
|
|
S 1
|
|
1 2.7518135173 1.0000000
|
|
S 1
|
|
1 1.0434856515 1.0000000
|
|
S 1
|
|
1 0.11172292442 1.0000000
|
|
S 1
|
|
1 0.41041020330E-01 1.0000000
|
|
P 3
|
|
1 2530.0965671 0.19137941259E-02
|
|
2 600.09792954 0.15797670964E-01
|
|
3 194.08204479 0.76271259615E-01
|
|
P 3
|
|
1 73.671821377 0.23881452309
|
|
2 30.447369690 0.44980015897
|
|
3 13.122714875 0.39337682391
|
|
P 1
|
|
1 5.5214839972 1.0000000
|
|
P 1
|
|
1 2.1457922130 1.0000000
|
|
P 1
|
|
1 0.76797488702 1.0000000
|
|
D 3
|
|
1 47.313743703 0.32399760431E-01
|
|
2 13.154688449 0.16822706530
|
|
3 4.3662885749 0.38494429603
|
|
D 1
|
|
1 1.4122065936 1.0000000
|
|
D 1
|
|
1 0.38840713001 1.0000000
|
|
|
|
ZINC
|
|
S 6
|
|
1 472745.9416400 -0.21700994032E-03
|
|
2 70858.0994840 -0.16833756616E-02
|
|
3 16127.6397330 -0.87677495791E-02
|
|
4 4569.7614320 -0.35768760798E-01
|
|
5 1496.9765379 -0.11680698543
|
|
6 549.25646888 -0.28670653074
|
|
S 2
|
|
1 218.59011012 -0.42684317028
|
|
2 89.068823328 -0.33251989916
|
|
S 1
|
|
1 22.475751693 1.0000000
|
|
S 1
|
|
1 9.7836990852 1.0000000
|
|
S 1
|
|
1 3.0476097903 1.0000000
|
|
S 1
|
|
1 1.1751310173 1.0000000
|
|
S 1
|
|
1 0.14336738100 1.0000000
|
|
S 1
|
|
1 0.50761504256E-01 1.0000000
|
|
P 3
|
|
1 2738.9909849 -0.18709110259E-02
|
|
2 649.72995198 -0.15461531483E-01
|
|
3 210.29129074 -0.74752628792E-01
|
|
P 3
|
|
1 79.954360369 -0.23286955460
|
|
2 33.131290448 -0.44019359575
|
|
3 14.326395837 -0.38736391445
|
|
P 1
|
|
1 6.0658646628 1.0000000
|
|
P 1
|
|
1 2.3753719617 1.0000000
|
|
P 1
|
|
1 0.86596317258 1.0000000
|
|
D 3
|
|
1 56.079664803 0.29598233794E-01
|
|
2 15.748259098 0.15879184876
|
|
3 5.3098927689 0.37984178082
|
|
D 1
|
|
1 1.7734652510 1.0000000
|
|
D 1
|
|
1 0.51963233927 1.0000000
|
|
|
|
GALLIUM
|
|
S 6
|
|
1 505335.6329600 0.20973735734E-03
|
|
2 75742.7838440 0.16269717355E-02
|
|
3 17239.4663050 0.84741210878E-02
|
|
4 4884.9379362 0.34571148247E-01
|
|
5 1600.5426736 0.11286665876
|
|
6 587.75692288 0.27673631539
|
|
S 2
|
|
1 234.30109797 0.38518444468
|
|
2 95.611618032 0.30199565005
|
|
S 1
|
|
1 24.169750218 1.0000000
|
|
S 1
|
|
1 10.570603407 1.0000000
|
|
S 1
|
|
1 3.3873246666 1.0000000
|
|
S 1
|
|
1 1.3329947879 1.0000000
|
|
S 1
|
|
1 0.19249282002 1.0000000
|
|
S 1
|
|
1 0.70551923431E-01 1.0000000
|
|
P 3
|
|
1 2971.6078970 0.15991735684E-02
|
|
2 705.19903787 0.13222475234E-01
|
|
3 228.76520451 0.63791572879E-01
|
|
P 3
|
|
1 87.456391077 0.21775082725
|
|
2 36.540231966 0.41394918898
|
|
3 15.974579723 0.37538235687
|
|
P 1
|
|
1 6.8870611525 1.0000000
|
|
P 2
|
|
1 2.8318589081 0.58552518446
|
|
2 1.1078009985 0.33671542689
|
|
P 1
|
|
1 0.23450858657 1.0000000
|
|
P 1
|
|
1 0.63626881249E-01 1.0000000
|
|
D 4
|
|
1 65.344641807 0.27378344748E-01
|
|
2 18.500577517 0.15105668772
|
|
3 6.3162058406 0.37491843310
|
|
4 2.1638832514 0.47510265366
|
|
D 1
|
|
1 0.66688378425 1.0000000
|
|
|
|
GERMANIUM
|
|
S 6
|
|
1 538981.2085900 -0.21200860409E-03
|
|
2 80785.7689540 -0.16445989897E-02
|
|
3 18387.3215390 -0.85660702046E-02
|
|
4 5210.3369514 -0.34946370611E-01
|
|
5 1707.4890772 -0.11406152082
|
|
6 627.54854073 -0.27936327962
|
|
S 2
|
|
1 250.56696133 -0.39100943355
|
|
2 102.39333101 -0.30845092051
|
|
S 1
|
|
1 25.923923344 1.0000000
|
|
S 1
|
|
1 11.389081191 1.0000000
|
|
S 1
|
|
1 3.7472808901 1.0000000
|
|
S 1
|
|
1 1.5027733307 1.0000000
|
|
S 1
|
|
1 0.24441033890 1.0000000
|
|
S 1
|
|
1 0.91205393545E-01 1.0000000
|
|
P 3
|
|
1 3196.8571212 0.15092965988E-02
|
|
2 758.78574707 0.12488543624E-01
|
|
3 246.40186162 0.60253286742E-01
|
|
P 3
|
|
1 94.429089481 0.22636609656
|
|
2 39.602333266 0.43152371868
|
|
3 17.394023219 0.39496423014
|
|
P 1
|
|
1 7.5468872383 1.0000000
|
|
P 2
|
|
1 3.1497947773 0.59773652861
|
|
2 1.2651485767 0.34946772770
|
|
P 1
|
|
1 0.30024031728 1.0000000
|
|
P 1
|
|
1 0.87319187211E-01 1.0000000
|
|
D 4
|
|
1 74.776447903 0.25760221955E-01
|
|
2 21.307762727 0.14540991775
|
|
3 7.3452966023 0.37136367703
|
|
4 2.5656881541 0.48003150467
|
|
D 1
|
|
1 0.81988587339 1.0000000
|
|
|
|
ARSENIC
|
|
S 6
|
|
1 573690.5114000 -0.21423470465E-03
|
|
2 85988.1834550 -0.16618749677E-02
|
|
3 19571.4742700 -0.86561820675E-02
|
|
4 5546.0309804 -0.35314044368E-01
|
|
5 1817.8361947 -0.11523139395
|
|
6 668.63675492 -0.28192647128
|
|
S 2
|
|
1 267.38795948 -0.39133530320
|
|
2 109.41335253 -0.31052652260
|
|
S 1
|
|
1 27.737766818 1.0000000
|
|
S 1
|
|
1 12.238528675 1.0000000
|
|
S 1
|
|
1 4.1265920360 1.0000000
|
|
S 1
|
|
1 1.6835020306 1.0000000
|
|
S 1
|
|
1 0.29954009858 1.0000000
|
|
S 1
|
|
1 0.11318866642 1.0000000
|
|
P 3
|
|
1 3425.0975358 -0.14737377532E-02
|
|
2 813.08797098 -0.12201465931E-01
|
|
3 264.28414769 -0.58857336717E-01
|
|
P 3
|
|
1 101.51263702 -0.20573148845
|
|
2 42.722350677 -0.39286343807
|
|
3 18.845113977 -0.36196397606
|
|
P 1
|
|
1 8.2254455309 1.0000000
|
|
P 2
|
|
1 3.4766363492 -0.59644553415
|
|
2 1.4285918301 -0.35023592364
|
|
P 1
|
|
1 0.37149795090 1.0000000
|
|
P 1
|
|
1 0.11244760708 1.0000000
|
|
D 4
|
|
1 84.442621644 0.24520468921E-01
|
|
2 24.188051726 0.14110224322
|
|
3 8.4037833603 0.36874385234
|
|
4 2.9811949434 0.48410290060
|
|
D 1
|
|
1 0.97923123794 1.0000000
|
|
|
|
SELENIUM
|
|
S 6
|
|
1 609461.5616500 0.20666334290E-03
|
|
2 91349.7284690 0.16031495925E-02
|
|
3 20791.8449100 0.83504137596E-02
|
|
4 5892.0009402 0.34066587387E-01
|
|
5 1931.5795523 0.11113199915
|
|
6 711.02173299 0.27160877452
|
|
S 2
|
|
1 284.76563000 0.40353358477
|
|
2 116.67280336 0.32201537581
|
|
S 1
|
|
1 29.611379847 1.0000000
|
|
S 1
|
|
1 13.118921596 1.0000000
|
|
S 1
|
|
1 4.5252274573 1.0000000
|
|
S 1
|
|
1 1.8747678530 1.0000000
|
|
S 1
|
|
1 0.35857737666 1.0000000
|
|
S 1
|
|
1 0.13617743845 1.0000000
|
|
P 3
|
|
1 3656.2658173 0.14714128997E-02
|
|
2 868.08211673 0.12188231954E-01
|
|
3 282.38879090 0.58780468899E-01
|
|
P 3
|
|
1 108.68249518 0.22385125713
|
|
2 45.880428373 0.42784037994
|
|
3 20.313633210 0.39569867976
|
|
P 1
|
|
1 8.9138677790 1.0000000
|
|
P 2
|
|
1 3.8029430087 0.58895017030
|
|
2 1.5911663461 0.34147004237
|
|
P 1
|
|
1 0.44755579009 1.0000000
|
|
P 1
|
|
1 0.13236319065 1.0000000
|
|
D 4
|
|
1 94.493793993 0.23490451687E-01
|
|
2 27.186508933 0.13749365615
|
|
3 9.5088741989 0.36646762776
|
|
4 3.4175441801 0.48752298742
|
|
D 1
|
|
1 1.1481458665 1.0000000
|
|
|
|
BROMINE
|
|
S 6
|
|
1 646312.4103900 0.20844173405E-03
|
|
2 96873.0389000 0.16169556764E-02
|
|
3 22048.9675740 0.84224934763E-02
|
|
4 6248.3557482 0.34360876797E-01
|
|
5 2048.7467977 0.11206361063
|
|
6 754.70826963 0.27360431084
|
|
S 2
|
|
1 302.69689103 0.40561279803
|
|
2 124.16866898 0.32541501049
|
|
S 1
|
|
1 31.544281070 1.0000000
|
|
S 1
|
|
1 14.029435981 1.0000000
|
|
S 1
|
|
1 4.9416679228 1.0000000
|
|
S 1
|
|
1 2.0756618020 1.0000000
|
|
S 1
|
|
1 0.42101474441 1.0000000
|
|
S 1
|
|
1 0.16058114367 1.0000000
|
|
P 3
|
|
1 3890.7181798 0.15119787124E-02
|
|
2 923.85869493 0.12529302998E-01
|
|
3 300.75537085 0.60405586937E-01
|
|
P 3
|
|
1 115.96376914 0.21102288964
|
|
2 49.093271078 0.40341288321
|
|
3 21.810392052 0.37386481043
|
|
P 1
|
|
1 9.6190135611 1.0000000
|
|
P 2
|
|
1 4.1341549028 0.59931625011
|
|
2 1.7549598851 0.33979400209
|
|
P 1
|
|
1 0.52801532318 1.0000000
|
|
P 1
|
|
1 0.15604837959 1.0000000
|
|
D 4
|
|
1 104.85732970 0.22649313036E-01
|
|
2 30.280080540 0.13456249533
|
|
3 10.651497127 0.36469674660
|
|
4 3.8705893430 0.49046476885
|
|
D 1
|
|
1 1.3242996938 1.0000000
|
|
|
|
KRYPTON
|
|
S 6
|
|
1 684221.9970000 0.20938881047E-03
|
|
2 102555.2004300 0.16243059281E-02
|
|
3 23342.3937750 0.84608205581E-02
|
|
4 6615.0835507 0.34516931725E-01
|
|
5 2169.3438677 0.11254581180
|
|
6 799.69607957 0.27450858880
|
|
S 2
|
|
1 321.18212105 0.33928755318
|
|
2 131.90111670 0.27359932213
|
|
S 1
|
|
1 33.536473012 1.0000000
|
|
S 1
|
|
1 14.969888552 1.0000000
|
|
S 1
|
|
1 5.3755395083 1.0000000
|
|
S 1
|
|
1 2.2858479626 1.0000000
|
|
S 1
|
|
1 0.48690237132 1.0000000
|
|
S 1
|
|
1 0.18641011710 1.0000000
|
|
P 3
|
|
1 4128.6993199 -0.0015636044631
|
|
2 980.47534405 -0.012961443065
|
|
3 319.40135820 -0.062464453956
|
|
P 3
|
|
1 123.36181040 -0.21245676823
|
|
2 52.362318744 -0.40604315810
|
|
3 23.335425093 -0.37652208104
|
|
P 1
|
|
1 10.340745051 1.0000000
|
|
P 2
|
|
1 4.4694078019 0.55671930670
|
|
2 1.9177854904 0.30604453289
|
|
P 1
|
|
1 0.61259063615 1.0000000
|
|
P 1
|
|
1 0.18236405019 1.0000000
|
|
D 4
|
|
1 115.56236667 0.021944058194
|
|
2 33.477247149 0.13211460240
|
|
3 11.834799736 0.36327650298
|
|
4 4.3415492653 0.49302860092
|
|
D 1
|
|
1 1.5081356984 1.0000000
|
|
|
|
|