mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-18 19:32:20 +01:00
4280 lines
137 KiB
Plaintext
4280 lines
137 KiB
Plaintext
!----------------------------------------------------------------------
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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-SVP
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! Description: def2-SVP
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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 13.0107010 0.19682158E-01
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2 1.9622572 0.13796524
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3 0.44453796 0.47831935
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S 1
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1 0.12194962 1.0000000
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P 1
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1 0.8000000 1.0000000
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HELIUM
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S 3
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1 38.354936737 0.23814288905E-01
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2 5.7689081479 0.15490906777
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3 1.2399407035 0.46998096633
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S 1
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1 0.29757815953 1.0000000
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P 1
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1 1.0000000 1.0000000
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LITHIUM
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S 5
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1 266.27785516 0.64920150325E-02
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2 40.069783447 0.47747863215E-01
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3 9.0559944389 0.20268796111
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4 2.4503009051 0.48606574817
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5 0.72209571855 0.43626977955
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S 1
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1 0.52810884721E-01 1.0000000
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S 1
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1 0.20960948798E-01 1.0000000
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P 2
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1 1.4500000 0.2586000
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2 0.3000000 1.0000000
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P 1
|
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1 0.0820000 1.0000000
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BERYLLIUM
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S 5
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1 515.18616125 0.55615307983E-02
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2 77.511037595 0.41190068062E-01
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3 17.552481693 0.17913378108
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4 4.8028940596 0.44736716455
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5 1.4516214316 0.42009581920
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S 1
|
|
1 0.13281633620 1.0000000
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S 1
|
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1 0.45837372213E-01 1.0000000
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P 3
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1 3.6316917145 -0.29033998305E-01
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2 0.71695694366 -0.16877854032
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3 0.19541932860 -0.51403419628
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P 1
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1 0.60515465890E-01 1.0000000
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BORON
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S 5
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1 839.31830086 -0.55929201074E-02
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2 126.26464843 -0.41565520771E-01
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3 28.620600763 -0.18299816983
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4 7.8793722710 -0.46540391866
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5 2.4088857172 -0.44173884791
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S 1
|
|
1 0.25105109036 1.0000000
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S 1
|
|
1 0.83648866069E-01 1.0000000
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P 3
|
|
1 6.0332223619 -0.35603672456E-01
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2 1.2499157866 -0.19895775769
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3 0.33871676350 -0.50850202618
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P 1
|
|
1 0.96415632351E-01 1.0000000
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D 1
|
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1 0.5000000 1.0000000
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CARBON
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S 5
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1 1238.4016938 0.54568832082E-02
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2 186.29004992 0.40638409211E-01
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3 42.251176346 0.18025593888
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4 11.676557932 0.46315121755
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5 3.5930506482 0.44087173314
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S 1
|
|
1 0.40245147363 1.0000000
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S 1
|
|
1 0.13090182668 1.0000000
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P 3
|
|
1 9.4680970621 0.38387871728E-01
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2 2.0103545142 0.21117025112
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3 0.54771004707 0.51328172114
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P 1
|
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1 0.15268613795 1.0000000
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D 1
|
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1 0.8000000 1.0000000
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NITROGEN
|
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S 5
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1 1712.8415853 -0.53934125305E-02
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2 257.64812677 -0.40221581118E-01
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3 58.458245853 -0.17931144990
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4 16.198367905 -0.46376317823
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5 5.0052600809 -0.44171422662
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S 1
|
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1 0.58731856571 1.0000000
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S 1
|
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1 0.18764592253 1.0000000
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P 3
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1 13.571470233 -0.40072398852E-01
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2 2.9257372874 -0.21807045028
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3 0.79927750754 -0.51294466049
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P 1
|
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1 0.21954348034 1.0000000
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D 1
|
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1 1.0000000 1.0000000
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OXYGEN
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S 5
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1 2266.1767785 -0.53431809926E-02
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2 340.87010191 -0.39890039230E-01
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3 77.363135167 -0.17853911985
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4 21.479644940 -0.46427684959
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5 6.6589433124 -0.44309745172
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S 1
|
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1 0.80975975668 1.0000000
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S 1
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1 0.25530772234 1.0000000
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P 3
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1 17.721504317 0.43394573193E-01
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2 3.8635505440 0.23094120765
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3 1.0480920883 0.51375311064
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P 1
|
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1 0.27641544411 1.0000000
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D 1
|
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1 1.2000000 1.0000000
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FLUORINE
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S 5
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1 2894.8325990 -0.53408255515E-02
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2 435.41939120 -0.39904258866E-01
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3 98.843328866 -0.17912768038
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4 27.485198001 -0.46758090825
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5 8.5405498171 -0.44653131020
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S 1
|
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1 1.0654578038 1.0000000
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S 1
|
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1 0.33247346748 1.0000000
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P 3
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1 22.696633924 -0.45212874436E-01
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2 4.9872339257 -0.23754317067
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3 1.3491613954 -0.51287353587
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P 1
|
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1 0.34829881977 1.0000000
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D 1
|
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1 1.4000000 1.0000000
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NEON
|
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S 5
|
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1 3598.9736625 -0.53259297003E-02
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2 541.32073112 -0.39817417969E-01
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3 122.90450062 -0.17914358188
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4 34.216617022 -0.46893582977
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5 10.650584124 -0.44782537577
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S 1
|
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1 1.3545953960 1.0000000
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S 1
|
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1 0.41919362639 1.0000000
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P 3
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1 28.424053785 -0.46031944795E-01
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2 6.2822510953 -0.23993183041
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3 1.6978715079 -0.50871724964
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P 1
|
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1 0.43300700172 1.0000000
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D 1
|
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1 1.8880000 1.0000000
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SODIUM
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S 5
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1 4098.2003908 -0.58535911879E-02
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2 616.49374031 -0.43647161872E-01
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3 139.96644001 -0.19431465884
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4 39.073441051 -0.48685065731
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5 11.929847205 -0.41881705137
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S 3
|
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1 20.659966030 0.85949689854E-01
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2 1.9838860978 -0.56359144041
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3 0.64836323942 -0.51954009048
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S 1
|
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1 0.52443967404E-01 1.0000000
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S 1
|
|
1 0.28048160742E-01 1.0000000
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P 5
|
|
1 75.401862017 0.154353625324E-01
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|
2 17.274818978 0.997382931840E-01
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3 5.1842347425 0.312095939659
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4 1.6601211973 0.492956748074
|
|
5 0.51232528958 0.324203983180
|
|
P 1
|
|
1 0.0520000 1.0000000
|
|
D 1
|
|
1 0.1310000 1.0000000
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|
|
MAGNESIUM
|
|
S 5
|
|
1 4953.8339196 -0.57778967498E-02
|
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2 745.18044154 -0.43124761082E-01
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3 169.21604972 -0.19268216987
|
|
4 47.300672019 -0.48641439116
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5 14.461336973 -0.42550894077
|
|
S 3
|
|
1 24.768174789 0.87956969984E-01
|
|
2 2.4940945349 -0.55165058128
|
|
3 0.87807584533 -0.53443294833
|
|
S 1
|
|
1 0.87212782497E-01 1.0000000
|
|
S 1
|
|
1 0.33599293780E-01 1.0000000
|
|
P 5
|
|
1 98.053010494 -0.14480564601E-01
|
|
2 22.586932277 -0.95495750787E-01
|
|
3 6.8391509842 -0.30787672651
|
|
4 2.2332843818 -0.49936292886
|
|
5 0.71606599387 -0.31503476213
|
|
P 1
|
|
1 0.18914796195 1.0000000
|
|
P 1
|
|
1 0.53768755187E-01 1.0000000
|
|
D 1
|
|
1 0.1010000 1.0000000
|
|
|
|
ALUMINUM
|
|
S 5
|
|
1 5887.5727030 0.13483347987E-02
|
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2 885.61225996 0.10071576809E-01
|
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3 201.13604899 0.45132454056E-01
|
|
4 56.284974674 0.11461268043
|
|
5 17.229551243 0.10159608943
|
|
S 3
|
|
1 29.340249922 0.69347454208E-01
|
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2 3.0439630420 -0.42528117679
|
|
3 1.1285539518 -0.41449832210
|
|
S 1
|
|
1 0.14234175160 1.0000000
|
|
S 1
|
|
1 0.54400192313E-01 1.0000000
|
|
P 5
|
|
1 145.11918809 0.63963373134E-02
|
|
2 33.717894833 0.44189359965E-01
|
|
3 10.369863083 0.15581575993
|
|
4 3.5135616036 0.28635286951
|
|
5 1.1980050273 0.22921423248
|
|
P 1
|
|
1 0.26583005913 1.0000000
|
|
P 1
|
|
1 0.71003361994E-01 1.0000000
|
|
D 1
|
|
1 0.3000000 1.0000000
|
|
|
|
SILICON
|
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S 5
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|
1 6903.7118686 0.13373962995E-02
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2 1038.4346419 0.99966546241E-02
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3 235.87581480 0.44910165101E-01
|
|
4 66.069385169 0.11463638540
|
|
5 20.247945761 0.10280063858
|
|
S 3
|
|
1 34.353481730 0.70837285010E-01
|
|
2 3.6370788192 -0.43028836252
|
|
3 1.4002048599 -0.41382774969
|
|
S 1
|
|
1 0.20484414805 1.0000000
|
|
S 1
|
|
1 0.77994095468E-01 1.0000000
|
|
P 5
|
|
1 179.83907373 0.61916656462E-02
|
|
2 41.907258846 0.43399431982E-01
|
|
3 12.955294367 0.15632019351
|
|
4 4.4383267393 0.29419996982
|
|
5 1.5462247904 0.23536823814
|
|
P 1
|
|
1 0.35607612302 1.0000000
|
|
P 1
|
|
1 0.10008513762 1.0000000
|
|
D 1
|
|
1 0.3500000 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 5
|
|
1 8002.4795106 0.57503489302E-02
|
|
2 1203.6813590 0.43007628959E-01
|
|
3 273.44227031 0.19363986252
|
|
4 76.655541517 0.49651693399
|
|
5 23.516927435 0.44983262479
|
|
S 3
|
|
1 39.791683439 0.95188129789E-01
|
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2 4.2770343323 -0.57649840368
|
|
3 1.6940256888 -0.54239583865
|
|
S 1
|
|
1 0.27567674644 1.0000000
|
|
S 1
|
|
1 0.10495590099 1.0000000
|
|
P 5
|
|
1 219.50755823 0.92100565257E-02
|
|
2 51.274155030 0.65409765745E-01
|
|
3 15.921595892 0.24033730279
|
|
4 5.5069913481 0.46318321788
|
|
5 1.9537719426 0.37392563382
|
|
P 1
|
|
1 0.47803397932 1.0000000
|
|
P 1
|
|
1 0.13657952621 1.0000000
|
|
D 1
|
|
1 0.4500000 1.0000000
|
|
|
|
SULFUR
|
|
S 5
|
|
1 9184.9303010 -0.22294387756E-02
|
|
2 1381.5105503 -0.16683029937E-01
|
|
3 313.87147580 -0.75262436116E-01
|
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4 88.053870623 -0.19376827038
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5 27.039914905 -0.17718020803
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|
S 3
|
|
1 45.648731303 -0.10736062573
|
|
2 4.9664522326 0.65066293018
|
|
3 2.0116242047 0.59712155354
|
|
S 1
|
|
1 0.35661077013 1.0000000
|
|
S 1
|
|
1 0.13507221477 1.0000000
|
|
P 5
|
|
1 261.98233439 -0.92729929822E-02
|
|
2 61.306894736 -0.66547669241E-01
|
|
3 19.103729887 -0.24828595903
|
|
4 6.6567720378 -0.48703847402
|
|
5 2.3959635161 -0.39337850312
|
|
P 1
|
|
1 0.61776161679 1.0000000
|
|
P 1
|
|
1 0.16993376871 1.0000000
|
|
D 1
|
|
1 0.5500000 1.0000000
|
|
|
|
CHLORINE
|
|
S 5
|
|
1 10449.8275660 0.19708362484E-02
|
|
2 1571.7365221 0.14754727977E-01
|
|
3 357.12065523 0.66679112875E-01
|
|
4 100.25185935 0.17228924084
|
|
5 30.812727554 0.15883786100
|
|
S 3
|
|
1 51.923789434 -0.10009298909
|
|
2 5.7045760975 0.60841752753
|
|
3 2.3508376809 0.54352153355
|
|
S 1
|
|
1 0.44605124672 1.0000000
|
|
S 1
|
|
1 0.16848856190 1.0000000
|
|
P 5
|
|
1 307.66790569 -0.87801484118E-02
|
|
2 72.102015515 -0.63563355471E-01
|
|
3 22.532680262 -0.24016428276
|
|
4 7.8991765444 -0.47798866557
|
|
5 2.8767268321 -0.38515850005
|
|
P 1
|
|
1 0.77459363955 1.0000000
|
|
P 1
|
|
1 0.21037699698 1.0000000
|
|
D 1
|
|
1 0.6500000 1.0000000
|
|
|
|
ARGON
|
|
S 5
|
|
1 11797.1197650 0.20214479973E-02
|
|
2 1774.3522753 0.15139852688E-01
|
|
3 403.18875733 0.68525400873E-01
|
|
4 113.24933999 0.17762929207
|
|
5 34.835298193 0.16496495001
|
|
S 3
|
|
1 58.614775042 -0.10343394000
|
|
2 6.4922045078 0.63133365899
|
|
3 2.7117014403 0.54887572301
|
|
S 1
|
|
1 0.54412974538 1.0000000
|
|
S 1
|
|
1 0.20517411136 1.0000000
|
|
P 5
|
|
1 356.28707256 -0.87321783271E-02
|
|
2 83.593132866 -0.63680317444E-01
|
|
3 26.186704029 -0.24311906886
|
|
4 9.2257275925 -0.48956069653
|
|
5 3.3922754954 -0.39229190040
|
|
P 1
|
|
1 0.94740534010 1.0000000
|
|
P 1
|
|
1 0.25659135062 1.0000000
|
|
D 1
|
|
1 0.6960000 1.0000000
|
|
|
|
POTASSIUM
|
|
S 6
|
|
1 31478.7467640 0.39838653994E-02
|
|
2 4726.8876066 0.30501759762E-01
|
|
3 1075.4345353 0.15073752622
|
|
4 303.39811023 0.51912939801
|
|
5 98.327112831 1.0366957005
|
|
6 33.636222177 0.76398963199
|
|
S 3
|
|
1 65.639209962 -0.28242617106
|
|
2 7.3162592218 1.6914935860
|
|
3 2.8902580135 1.2965331953
|
|
S 3
|
|
1 4.5459748965 -0.76343555273E-02
|
|
2 0.70404124062 0.25635718960E-01
|
|
3 0.28266888959 0.16606859208E-01
|
|
S 1
|
|
1 0.29058164020E-01 1.0000000
|
|
S 1
|
|
1 0.12111638157E-01 1.0000000
|
|
P 5
|
|
1 361.22492154 0.20906479823E-01
|
|
2 84.670222166 0.15043641740
|
|
3 26.469088236 0.55440061077
|
|
4 9.2658077615 1.0409009991
|
|
5 3.3423388293 0.67825341194
|
|
P 3
|
|
1 1.5100876104 0.75248191146
|
|
2 0.56568375163 1.3708585031
|
|
3 0.20817008495 0.66047633079
|
|
P 1
|
|
1 0.0417370 1.0000000
|
|
D 1
|
|
1 0.3530000 1.0000000
|
|
D 1
|
|
1 0.0980000 1.0000000
|
|
|
|
CALCIUM
|
|
S 6
|
|
1 35138.7139290 0.39482520740E-02
|
|
2 5276.4111348 0.30234243552E-01
|
|
3 1200.4692589 0.14952019681
|
|
4 338.71810542 0.51597345713
|
|
5 109.85385922 1.0339510296
|
|
6 37.608880299 0.76937933526
|
|
S 3
|
|
1 73.107977555 -0.28268525011
|
|
2 8.2407705688 1.6796092142
|
|
3 3.2959812993 1.2803766016
|
|
S 3
|
|
1 5.2341800914 -0.76868604561E-02
|
|
2 0.84187220515 0.25382375978E-01
|
|
3 0.36510294029 0.16512171511E-01
|
|
S 1
|
|
1 0.51222402884E-01 1.0000000
|
|
S 1
|
|
1 0.19825111408E-01 1.0000000
|
|
P 5
|
|
1 413.11313893 0.20327135354E-01
|
|
2 96.935786224 0.14730276362
|
|
3 30.372154659 0.54887167322
|
|
4 10.684776830 1.0440659818
|
|
5 3.8821258350 0.68653490684
|
|
P 3
|
|
1 1.7993016295 0.75410246871
|
|
2 0.69189056530 1.3409296599
|
|
3 0.26364024096 0.56391989435
|
|
P 1
|
|
1 0.0749790 1.0000000
|
|
D 3
|
|
1 5.4979093879 0.73770011433E-01
|
|
2 1.3177128032 0.26052853169
|
|
3 0.32188682649 0.45233836380
|
|
D 1
|
|
1 0.70528614919E-01 1.0000000
|
|
|
|
SCANDIUM
|
|
S 6
|
|
1 38956.0818040 0.39293205858E-02
|
|
2 5849.5733637 0.30093221229E-01
|
|
3 1330.8813154 0.14890370950
|
|
4 375.55534165 0.51464282906
|
|
5 121.87261370 1.0337708070
|
|
6 41.760243729 0.77436851627
|
|
S 3
|
|
1 81.060633953 -0.28318552316
|
|
2 9.2059823972 1.6770806984
|
|
3 3.7063215732 1.2594733678
|
|
S 3
|
|
1 5.9888909988 -0.77821367493E-02
|
|
2 0.97363432378 0.25499692745E-01
|
|
3 0.42041019223 0.16191560820E-01
|
|
S 1
|
|
1 0.59440551913E-01 1.0000000
|
|
S 1
|
|
1 0.22897806303E-01 1.0000000
|
|
P 5
|
|
1 466.31481262 0.19984300385E-01
|
|
2 109.51217097 0.14561043072
|
|
3 34.375921827 0.54687466223
|
|
4 12.142096955 1.0479006012
|
|
5 4.4336767669 0.68894890327
|
|
P 3
|
|
1 2.0971291866 0.75619214724
|
|
2 0.80977606956 1.3178212235
|
|
3 0.30834046588 0.54312268173
|
|
P 1
|
|
1 0.0897480 1.0000000
|
|
D 4
|
|
1 19.240334928 0.27039082144E-01
|
|
2 5.1178995899 0.13803684743
|
|
3 1.6554278827 0.34869086403
|
|
4 0.54016355610 0.48594185717
|
|
D 1
|
|
1 0.16211214518 .34374449689
|
|
F 1
|
|
1 0.3450000 1.0000000
|
|
|
|
TITANIUM
|
|
S 6
|
|
1 42961.5121850 0.39127635355E-02
|
|
2 6450.9759169 0.29969820489E-01
|
|
3 1467.7210915 0.14836352707
|
|
4 414.20997355 0.51347285324
|
|
5 134.48715840 1.0335365483
|
|
6 46.122209796 0.77854233930
|
|
S 3
|
|
1 89.447762543 -0.28385401259
|
|
2 10.223346060 1.6772785333
|
|
3 4.1353774271 1.2411928456
|
|
S 3
|
|
1 6.7896181452 -0.78399994518E-02
|
|
2 1.1106730691 0.25495493019E-01
|
|
3 0.47565975578 0.16061172892E-01
|
|
S 1
|
|
1 0.65986956934E-01 1.0000000
|
|
S 1
|
|
1 0.25210342250E-01 1.0000000
|
|
P 5
|
|
1 522.03684782 0.19754179642E-01
|
|
2 122.68649489 0.14460677619
|
|
3 38.572903611 0.54669004165
|
|
4 13.672169319 1.0531647540
|
|
5 5.0118529359 0.69111213363
|
|
P 3
|
|
1 2.4131928282 0.75803437136
|
|
2 0.93252270050 1.3036241399
|
|
3 0.35429058390 0.53638653300
|
|
P 1
|
|
1 0.1015610 1.0000000
|
|
D 4
|
|
1 23.465125957 0.26536380115E-01
|
|
2 6.3332593832 0.13796453963
|
|
3 2.0766489946 0.35312644228
|
|
4 0.69027361954 0.48647124166
|
|
D 1
|
|
1 0.21088738554 .33026314258
|
|
F 1
|
|
1 0.5620000 1.0000000
|
|
|
|
VANADIUM
|
|
S 6
|
|
1 47160.3760600 0.14498688908E-02
|
|
2 7081.4110871 0.11106435251E-01
|
|
3 1611.1621223 0.55005423585E-01
|
|
4 454.72940551 0.19060252591
|
|
5 147.71321208 0.38435022957
|
|
6 50.699538950 0.29095546792
|
|
S 3
|
|
1 98.262492669 -0.10942337856
|
|
2 11.294293099 0.64539490399
|
|
3 4.5853360105 0.47117880777
|
|
S 3
|
|
1 7.6359689588 -0.22454949054
|
|
2 1.2539836689 0.72594852764
|
|
3 0.53271935387 0.45560582748
|
|
S 1
|
|
1 0.72246239566E-01 1.0000000
|
|
S 1
|
|
1 0.27358087448E-01 1.0000000
|
|
P 5
|
|
1 580.55044988 0.97315110917E-02
|
|
2 136.52341127 0.71531241137E-01
|
|
3 42.983958820 0.27197688414
|
|
4 15.282798763 0.52618988893
|
|
5 5.6202495154 0.34452533498
|
|
P 3
|
|
1 2.7485386415 0.34040396496
|
|
2 1.0618550073 0.57983996120
|
|
3 0.40235518645 0.23911643083
|
|
P 1
|
|
1 0.1112480 1.0000000
|
|
D 4
|
|
1 27.358434017 0.26641927050E-01
|
|
2 7.4540604253 0.13995311726
|
|
3 2.4633917847 0.35751066639
|
|
4 0.82480925277 0.48488354148
|
|
D 1
|
|
1 0.25257904742 .32332844995
|
|
F 1
|
|
1 0.8310000 1.0000000
|
|
|
|
CHROMIUM
|
|
S 6
|
|
1 51528.0863490 0.14405823106E-02
|
|
2 7737.2103487 0.11036202287E-01
|
|
3 1760.3748470 0.54676651806E-01
|
|
4 496.87706544 0.18965038103
|
|
5 161.46520598 0.38295412850
|
|
6 55.466352268 0.29090050668
|
|
S 3
|
|
1 107.54732999 -0.10932281100
|
|
2 12.408671897 0.64472599471
|
|
3 5.0423628826 0.46262712560
|
|
S 3
|
|
1 8.5461640165 -0.22711013286
|
|
2 1.3900441221 0.73301527591
|
|
3 0.56066602876 0.44225565433
|
|
S 1
|
|
1 0.71483705972E-01 1.0000000
|
|
S 1
|
|
1 0.28250687604E-01 1.0000000
|
|
P 5
|
|
1 640.48536096 0.96126715203E-02
|
|
2 150.69711194 0.70889834655E-01
|
|
3 47.503755296 0.27065258990
|
|
4 16.934120165 0.52437343414
|
|
5 6.2409680590 0.34107994714
|
|
P 3
|
|
1 3.0885463206 0.33973986903
|
|
2 1.1791047769 0.57272062927
|
|
3 0.43369774432 0.24582728206
|
|
P 1
|
|
1 0.1206750 1.0000000
|
|
D 4
|
|
1 27.559479426 0.30612488044E-01
|
|
2 7.4687020327 0.15593270944
|
|
3 2.4345903574 0.36984421276
|
|
4 0.78244754808 0.47071118077
|
|
D 1
|
|
1 0.21995774311 .33941649889
|
|
F 1
|
|
1 1.1470000 1.0000000
|
|
|
|
MANGANESE
|
|
S 6
|
|
1 56137.0090370 0.14321304702E-02
|
|
2 8429.2063943 0.10972509162E-01
|
|
3 1917.8277233 0.54382468712E-01
|
|
4 541.36230198 0.18884335129
|
|
5 176.00069142 0.38198025054
|
|
6 60.500477010 0.29156772596
|
|
S 3
|
|
1 117.17282882 -0.10933661328
|
|
2 13.596973368 0.64305039431
|
|
3 5.5483996341 0.45848970584
|
|
S 3
|
|
1 9.4662853530 -0.22538977259
|
|
2 1.5595006070 0.72307758657
|
|
3 0.65230205868 0.45300721536
|
|
S 1
|
|
1 0.84003734475E-01 1.0000000
|
|
S 1
|
|
1 0.31256098581E-01 1.0000000
|
|
P 5
|
|
1 706.00497535 0.95055518167E-02
|
|
2 166.19728820 0.70356271142E-01
|
|
3 52.452061906 0.27005556982
|
|
4 18.746932862 0.52574344602
|
|
5 6.9282991622 0.34254033223
|
|
P 3
|
|
1 3.4772204938 0.33994073736
|
|
2 1.3406906449 0.57203836254
|
|
3 0.50498803038 0.23847605831
|
|
P 1
|
|
1 0.1276500 1.0000000
|
|
D 4
|
|
1 35.423264935 0.26985304111E-01
|
|
2 9.7814221451 0.14383458648
|
|
3 3.2673488767 0.36418958377
|
|
4 1.1026472189 0.48152670661
|
|
D 1
|
|
1 0.33743205934 .31458754360
|
|
F 1
|
|
1 1.3260000 1.0000000
|
|
|
|
IRON
|
|
S 6
|
|
1 60923.6406430 0.14302254466E-02
|
|
2 9147.8893982 0.10958790038E-01
|
|
3 2081.3505927 0.54332554248E-01
|
|
4 587.55977067 0.18884995009
|
|
5 191.09043990 0.38253069946
|
|
6 65.732730112 0.29308335984
|
|
S 3
|
|
1 127.25891928 -0.10964564925
|
|
2 14.830913010 0.64387631332
|
|
3 6.0653307408 0.45472347323
|
|
S 3
|
|
1 10.449943710 -0.22539639952
|
|
2 1.7245228003 0.72164398156
|
|
3 0.71772177325 0.44985492922
|
|
S 1
|
|
1 0.91449828308E-01 1.0000000
|
|
S 1
|
|
1 0.33706691021E-01 1.0000000
|
|
P 5
|
|
1 773.43750995 0.94325735144E-02
|
|
2 182.15149714 0.70029620575E-01
|
|
3 57.547272758 0.26993651996
|
|
4 20.614988935 0.52700011047
|
|
5 7.6348557890 0.34284148028
|
|
P 3
|
|
1 3.8719327990 0.33974402988
|
|
2 1.4924724132 0.56842594005
|
|
3 0.56061284958 0.23649365839
|
|
P 1
|
|
1 0.1349150 1.0000000
|
|
D 4
|
|
1 38.968133419 0.27879664382E-01
|
|
2 10.800067078 0.14858319982
|
|
3 3.6136457999 0.36905479496
|
|
4 1.2129967888 0.47745100883
|
|
D 1
|
|
1 0.36524393170 .31418142304
|
|
F 1
|
|
1 1.5980000 1.0000000
|
|
|
|
COBALT
|
|
S 6
|
|
1 65902.2082570 0.14284614936E-02
|
|
2 9895.3896027 0.10946072783E-01
|
|
3 2251.4305789 0.54285953890E-01
|
|
4 635.61097084 0.18885179079
|
|
5 206.78820681 0.38301634994
|
|
6 71.179242971 0.29443551266
|
|
S 3
|
|
1 137.77268040 -0.10990221736
|
|
2 16.118079243 0.64455537395
|
|
3 6.6030327710 0.45116787924
|
|
S 3
|
|
1 11.479915788 -0.22593846910
|
|
2 1.8956426324 0.72231409008
|
|
3 0.78466232067 0.44903812296
|
|
S 1
|
|
1 0.98425774432E-01 1.0000000
|
|
S 1
|
|
1 0.35945741932E-01 1.0000000
|
|
P 5
|
|
1 843.64358575 0.93866097254E-02
|
|
2 198.76386994 0.69880208716E-01
|
|
3 62.854963098 0.27037070345
|
|
4 22.562842280 0.52904786880
|
|
5 8.3713209127 0.34357029579
|
|
P 3
|
|
1 4.2858719800 0.34027999036
|
|
2 1.6508041817 0.56693392384
|
|
3 0.61834231096 0.23617979783
|
|
P 1
|
|
1 0.1413080 1.0000000
|
|
D 4
|
|
1 42.927867612 0.28487788365E-01
|
|
2 11.942533053 0.15206951283
|
|
3 4.0046495664 0.37310913999
|
|
4 1.3413193804 0.47549837676
|
|
D 1
|
|
1 0.40015009743 .31346831424
|
|
F 1
|
|
1 1.9030000 1.0000000
|
|
|
|
NICKEL
|
|
S 6
|
|
1 71074.8032110 0.14260386729E-02
|
|
2 10672.0209410 0.10928236994E-01
|
|
3 2428.1389007 0.54212626938E-01
|
|
4 685.53595148 0.18874768902
|
|
5 223.10072863 0.38324616985
|
|
6 76.842014042 0.29550637144
|
|
S 3
|
|
1 148.71122016 -0.11014443059
|
|
2 17.459154987 0.64521426988
|
|
3 7.1625280665 0.44797838103
|
|
S 3
|
|
1 12.556137125 -0.22645403224
|
|
2 2.0735740488 0.72320959286
|
|
3 0.85382640602 0.44868026476
|
|
S 1
|
|
1 0.10536766271 1.0000000
|
|
S 1
|
|
1 0.38134087688E-01 1.0000000
|
|
P 5
|
|
1 916.73608662 0.93439635610E-02
|
|
2 216.06139913 0.69737374902E-01
|
|
3 68.383914817 0.27073495012
|
|
4 24.593843952 0.53078301549
|
|
5 9.1392960204 0.34410229438
|
|
P 3
|
|
1 4.7193371746 0.34076082016
|
|
2 1.8161849234 0.56580169611
|
|
3 0.67840750720 0.23616717361
|
|
P 1
|
|
1 0.1465880 1.0000000
|
|
D 4
|
|
1 47.093832108 0.28982316948E-01
|
|
2 13.146463975 0.15494995950
|
|
3 4.4170548925 0.37633115111
|
|
4 1.4771565078 0.47365096014
|
|
D 1
|
|
1 0.43735921792 .31247837833
|
|
F 1
|
|
1 2.1740000 1.0000000
|
|
|
|
COPPER
|
|
S 6
|
|
1 76381.3480560 0.14336079896E-02
|
|
2 11468.7774990 0.10986749865E-01
|
|
3 2609.4246495 0.54513652465E-01
|
|
4 736.75033098 0.18990128258
|
|
5 239.82419958 0.38581959211
|
|
6 82.656829252 0.29790607498
|
|
S 3
|
|
1 160.13544196 -0.11146778567
|
|
2 18.834177695 0.65349301031
|
|
3 7.7176595741 0.44770534421
|
|
S 3
|
|
1 13.710846717 -0.22870911122
|
|
2 2.2349895670 0.73464423031
|
|
3 0.87818360069 0.43273070874
|
|
S 1
|
|
1 0.87187458064E-01 1.0000000
|
|
S 1
|
|
1 0.32969114665E-01 1.0000000
|
|
P 5
|
|
1 991.24075782 0.93878498798E-02
|
|
2 233.69376116 0.70208282458E-01
|
|
3 74.020930927 0.27323522220
|
|
4 26.664967447 0.53580792728
|
|
5 9.9192087478 0.34575794906
|
|
P 3
|
|
1 5.1519553926 0.34229108083
|
|
2 1.9638205828 0.56456592484
|
|
3 0.71560097037 0.24078584318
|
|
P 1
|
|
1 0.1550650 1.0000000
|
|
D 4
|
|
1 47.335049590 0.32375547758E-01
|
|
2 13.161666077 0.16810218684
|
|
3 4.3693777244 0.38477707982
|
|
4 1.4132925109 0.46147880178
|
|
D 1
|
|
1 0.38878001452 .32388873258
|
|
F 1
|
|
1 2.2330000 1.0000000
|
|
|
|
ZINC
|
|
S 6
|
|
1 82000.7116290 0.14210764000E-02
|
|
2 12312.4717770 0.10891499487E-01
|
|
3 2801.3944193 0.54057188059E-01
|
|
4 790.99424302 0.18847463904
|
|
5 257.56551079 0.38346549346
|
|
6 88.814933400 0.29723794197
|
|
S 3
|
|
1 171.86353716 -0.11051849523
|
|
2 20.302534785 0.64607716984
|
|
3 8.3464123068 0.44220117322
|
|
S 3
|
|
1 14.847536940 -0.22705309278
|
|
2 2.4495029507 0.72433217935
|
|
3 0.99845821824 0.44836495592
|
|
S 1
|
|
1 0.11891307937 1.0000000
|
|
S 1
|
|
1 0.42297428760E-01 1.0000000
|
|
P 5
|
|
1 1071.5185372 0.92767797235E-02
|
|
2 252.69712152 0.69541149434E-01
|
|
3 80.100829126 0.27156772564
|
|
4 28.903393172 0.53401355573
|
|
5 10.768899879 0.34501323446
|
|
P 3
|
|
1 5.6446212530 0.34129600164
|
|
2 2.1678291347 0.56390521973
|
|
3 0.80540898341 0.23676109735
|
|
P 1
|
|
1 0.1624550 1.0000000
|
|
D 4
|
|
1 56.088939191 0.29588869140E-01
|
|
2 15.751908917 0.158725714045
|
|
3 5.3115812367 0.379762291591
|
|
4 1.7737904917 0.468989591719
|
|
D 1
|
|
1 0.51975583665 .309071490776
|
|
F 1
|
|
1 2.6140000 1.0000000
|
|
|
|
GALLIUM
|
|
S 6
|
|
1 87842.1262960 0.14271588798E-02
|
|
2 13189.4964020 0.10938894097E-01
|
|
3 3000.9482141 0.54308200127E-01
|
|
4 847.38425966 0.18951055983
|
|
5 276.00980642 0.38615185918
|
|
6 95.216672071 0.30051082719
|
|
S 3
|
|
1 184.00703968 -0.11124461963
|
|
2 21.827051433 0.64831322918
|
|
3 9.0026963761 0.44358383594
|
|
S 3
|
|
1 16.033176938 -0.23014299555
|
|
2 2.6707724878 0.72946861516
|
|
3 1.1252834170 0.46214976951
|
|
S 1
|
|
1 0.15967608829 1.0000000
|
|
S 1
|
|
1 0.57643044753E-01 1.0000000
|
|
P 5
|
|
1 1167.2665844 0.90974021307E-02
|
|
2 275.38062789 0.68456273343E-01
|
|
3 87.375073070 0.26922293888
|
|
4 31.597254670 0.53507897882
|
|
5 11.824122798 0.35279062760
|
|
P 3
|
|
1 6.2881845133 0.33938244530
|
|
2 2.5199853240 0.56871947608
|
|
3 1.0169726306 0.27717694939
|
|
P 1
|
|
1 0.24748373604 1.0000000
|
|
P 1
|
|
1 0.66685294163E-01 1.0000000
|
|
D 4
|
|
1 65.354237674 0.27370146382E-01
|
|
2 18.504656747 0.15099463976
|
|
3 6.3179620632 0.37485328545
|
|
4 2.1641389426 0.47510606851
|
|
D 1
|
|
1 0.66693092754 .29843287401
|
|
D 1
|
|
1 0.2070000 1.0000000
|
|
|
|
GERMANIUM
|
|
S 6
|
|
1 93889.8366420 0.14233976060E-02
|
|
2 14097.4975280 0.10910795654E-01
|
|
3 3207.5477309 0.54183705943E-01
|
|
4 905.76727269 0.18922820349
|
|
5 295.11014693 0.38612847001
|
|
6 101.84713141 0.30164050736
|
|
S 3
|
|
1 196.56719662 -0.11118770940
|
|
2 23.405292522 0.64616007369
|
|
3 9.6839116702 0.44188904568
|
|
S 3
|
|
1 17.269736544 -0.23027421375
|
|
2 2.8964622160 0.73017169398
|
|
3 1.2553621412 0.46197222255
|
|
S 1
|
|
1 0.20213081492 1.0000000
|
|
S 1
|
|
1 0.73867910982E-01 1.0000000
|
|
P 5
|
|
1 1259.2085995 0.90115464252E-02
|
|
2 297.15626382 0.67986841689E-01
|
|
3 94.353387522 0.26853856488
|
|
4 34.176329677 0.53659649219
|
|
5 12.816139615 0.35633514961
|
|
P 3
|
|
1 6.8471029784 0.33900693119
|
|
2 2.7717363939 0.56809365264
|
|
3 1.1458418175 0.27246539884
|
|
P 1
|
|
1 0.30679631536 1.0000000
|
|
P 1
|
|
1 0.89283644115E-01 1.0000000
|
|
D 4
|
|
1 74.782168177 0.25755860205E-01
|
|
2 21.310849759 0.14536816132
|
|
3 7.3464792363 0.37134209859
|
|
4 2.5656271395 0.48002998436
|
|
D 1
|
|
1 0.81981773070 .28978790744
|
|
D 1
|
|
1 0.2460000 1.0000000
|
|
|
|
ARSENIC
|
|
S 6
|
|
1 100146.5255400 0.14258349617E-02
|
|
2 15036.8617110 0.10930176963E-01
|
|
3 3421.2902833 0.54294174610E-01
|
|
4 966.16965717 0.18976078153
|
|
5 314.87394026 0.38775195453
|
|
6 108.70823790 0.30402812040
|
|
S 3
|
|
1 209.54238950 -0.11162094204
|
|
2 25.038221139 0.64697607762
|
|
3 10.390964343 0.44223608673
|
|
S 3
|
|
1 18.555090093 -0.22994190569
|
|
2 3.1281217449 0.73319107613
|
|
3 1.3884885073 0.45533653943
|
|
S 1
|
|
1 0.24714362141 1.0000000
|
|
S 1
|
|
1 0.91429428670E-01 1.0000000
|
|
P 5
|
|
1 1355.6443507 0.89182507898E-02
|
|
2 319.99929270 0.67454750717E-01
|
|
3 101.67734092 0.26759772110
|
|
4 36.886323845 0.53776844520
|
|
5 13.861115909 0.35992570244
|
|
P 3
|
|
1 7.4260666912 0.34036849637
|
|
2 3.0316247187 0.57030149334
|
|
3 1.2783078340 0.26606170238
|
|
P 1
|
|
1 0.37568503356 1.0000000
|
|
P 1
|
|
1 0.11394805454 1.0000000
|
|
D 4
|
|
1 84.445514539 0.24518402724E-01
|
|
2 24.190416102 0.14107454677
|
|
3 8.4045015119 0.36875228915
|
|
4 2.9808970748 0.48409561362
|
|
D 1
|
|
1 0.97909243359 .28250268781
|
|
D 1
|
|
1 0.2930000 1.0000000
|
|
|
|
SELENIUM
|
|
S 6
|
|
1 106612.2002700 0.14274889113E-02
|
|
2 16007.6047010 0.10943525114E-01
|
|
3 3642.1699707 0.54374171596E-01
|
|
4 1028.5912993 0.19018092947
|
|
5 335.30298888 0.38913021696
|
|
6 115.80129154 0.30620207088
|
|
S 3
|
|
1 222.93325020 -0.11198808009
|
|
2 26.726257934 0.64752124207
|
|
3 11.124501923 0.44241976651
|
|
S 3
|
|
1 19.888520061 -0.22857227762
|
|
2 3.3668473803 0.73591359951
|
|
3 1.5249277839 0.44330199577
|
|
S 1
|
|
1 0.29630037912 1.0000000
|
|
S 1
|
|
1 0.11009288974 1.0000000
|
|
P 5
|
|
1 1455.9068120 0.88203597043E-02
|
|
2 343.75101831 0.66875851967E-01
|
|
3 109.29554964 0.26640578080
|
|
4 39.707711022 0.53834928422
|
|
5 14.950185232 0.36303281993
|
|
P 3
|
|
1 8.0208962094 0.34153807025
|
|
2 3.2934649756 0.57257906583
|
|
3 1.4058602438 0.25549813222
|
|
P 1
|
|
1 0.45076123226 1.0000000
|
|
P 1
|
|
1 0.13353413325 1.0000000
|
|
D 4
|
|
1 94.494024044 0.23490101098E-01
|
|
2 27.188185260 0.13747735767E+00
|
|
3 9.5091567352 0.36649929124E+00
|
|
4 3.4170516853 0.48750989884E+00
|
|
D 1
|
|
1 1.1479590083 .27657943383E+00
|
|
D 1
|
|
1 0.3380000 1.0000000
|
|
|
|
BROMINE
|
|
S 6
|
|
1 113286.3877600 0.14283037779E-02
|
|
2 17009.6263030 0.10950417496E-01
|
|
3 3870.1842567 0.54421006604E-01
|
|
4 1093.0357227 0.19047907695
|
|
5 356.39721797 0.39024642737
|
|
6 123.12539643 0.30814432514
|
|
S 3
|
|
1 236.74084007 -0.11228065671
|
|
2 28.468661070 0.64775962312
|
|
3 11.883443722 0.44235575986
|
|
S 3
|
|
1 21.269633312 -0.22642576323
|
|
2 3.6129226841 0.73823712008
|
|
3 1.6626648969 0.42683868694
|
|
S 1
|
|
1 0.34823793232 1.0000000
|
|
S 1
|
|
1 0.13019031394 1.0000000
|
|
P 5
|
|
1 1560.2801881 0.87166669072E-02
|
|
2 368.47859205 0.66243637420E-01
|
|
3 117.22978849 0.26495610385
|
|
4 42.648909248 0.53839160587
|
|
5 16.087225096 0.36579387888
|
|
P 3
|
|
1 8.6352810058 0.34248787366
|
|
2 3.5613665502 0.57500678213
|
|
3 1.5292626609 0.24330394172
|
|
P 1
|
|
1 0.53064294848 1.0000000
|
|
P 1
|
|
1 0.15702758965 1.0000000
|
|
D 4
|
|
1 104.85518642 0.22650147581E-01
|
|
2 30.281143688 0.13455483230
|
|
3 10.651394267 0.36474454537
|
|
4 3.8699456233 0.49044587056
|
|
D 1
|
|
1 1.3240876762 .27137289040
|
|
D 1
|
|
1 0.3890000 1.0000000
|
|
|
|
KRYPTON
|
|
S 6
|
|
1 120165.6487500 0.14294234496E-02
|
|
2 18042.5001690 0.10959597020E-01
|
|
3 4105.1800388 0.54479647470E-01
|
|
4 1159.4447248 0.19081239122
|
|
5 378.13810346 0.39140445949
|
|
6 130.67610045 0.31007346689
|
|
S 3
|
|
1 250.96373353 -0.11258604011
|
|
2 30.265930380 0.64816322524
|
|
3 12.668110757 0.44240238994
|
|
S 3
|
|
1 22.697940101 -0.22391964908
|
|
2 3.8673017398 0.74060953026
|
|
3 1.8013706671 0.40803658445
|
|
S 1
|
|
1 0.40308639136 1.0000000
|
|
S 1
|
|
1 0.15170527749 1.0000000
|
|
P 5
|
|
1 1668.5736623 0.86215009803E-02
|
|
2 394.13862798 0.65665506884E-01
|
|
3 125.46644854 0.26366576697
|
|
4 45.704992729 0.53867658574
|
|
5 17.270133229 0.36865167502
|
|
P 3
|
|
1 9.2699487770 0.34346189015
|
|
2 3.8364617719 0.57784776196
|
|
3 1.6467163312 0.23075615197
|
|
P 1
|
|
1 0.61479686489 1.0000000
|
|
P 1
|
|
1 0.18319467414 1.0000000
|
|
D 4
|
|
1 115.55868603 0.21945485333E-01
|
|
2 33.477985864 0.13211212879
|
|
3 11.834450207 0.36333306964
|
|
4 4.3408254894 0.49300484446
|
|
D 1
|
|
1 1.5079273157 .26676858913
|
|
D 1
|
|
1 0.4430000 1.0000000
|
|
|
|
RUBIDIUM
|
|
S 3
|
|
1 4.6687885071 0.29008526793
|
|
2 2.9442428420 -0.67740090428
|
|
3 0.58171262989 0.45712389487
|
|
S 1
|
|
1 0.45147933555 1.0000000
|
|
S 1
|
|
1 0.21604923532 1.0000000
|
|
S 1
|
|
1 0.32088816526E-01 1.0000000
|
|
S 1
|
|
1 0.13833878175E-01 1.0000000
|
|
P 4
|
|
1 5.5234179480 0.51234729472E-01
|
|
2 3.4120149646 -0.17337025646
|
|
3 0.76899021792 0.43339683188
|
|
4 0.33088071786 0.55354332721
|
|
P 1
|
|
1 0.13423268441 1.0000000
|
|
P 1
|
|
1 0.20642679613E-01 1.0000000
|
|
D 1
|
|
1 0.2260000 1.0000000
|
|
D 1
|
|
1 0.27432280711E-01 1.0000000
|
|
|
|
STRONTIUM
|
|
S 3
|
|
1 5.9276428767 0.19698765364
|
|
2 3.0691274814 -0.64852205985
|
|
3 0.70675488028 0.62064729022
|
|
S 1
|
|
1 0.33824024280 1.0000000
|
|
S 1
|
|
1 0.61768869200E-01 1.0000000
|
|
S 1
|
|
1 0.25767593093E-01 1.0000000
|
|
P 4
|
|
1 2.4324720000 -0.37145059848
|
|
2 1.6642340000 0.37856824234
|
|
3 0.59455471858 0.59874487803
|
|
4 0.26152621998 0.35314019512
|
|
P 1
|
|
1 0.10258814042 1.0000000
|
|
P 1
|
|
1 0.33223404030E-01 1.0000000
|
|
D 4
|
|
1 3.6180810000 -0.75010000000E-02
|
|
2 0.99665600000 0.10809800000
|
|
3 0.39073500000 0.27854000000
|
|
4 0.12277000000 0.47731800000
|
|
D 1
|
|
1 0.36655000000E-01 .44818300000
|
|
|
|
YTTRIUM
|
|
S 3
|
|
1 5.1329580000 -1.3864845457
|
|
2 4.2401920000 1.9459581166
|
|
3 1.2982800000 0.44182603154
|
|
S 1
|
|
1 0.82904954347 1.0000000
|
|
S 1
|
|
1 0.34752758911 1.0000000
|
|
S 1
|
|
1 0.68418878574E-01 1.0000000
|
|
S 1
|
|
1 0.27323992904E-01 1.0000000
|
|
P 4
|
|
1 2.7279200000 -0.37249884911871
|
|
2 1.9790500000 0.32572065995957
|
|
3 0.79980886805 0.50094655502482
|
|
4 0.38409397354 0.44385929492812
|
|
P 1
|
|
1 0.16173582264 1.0000000
|
|
P 1
|
|
1 0.0300000 1.0000000
|
|
D 4
|
|
1 3.9030833060 -0.0098209792625124
|
|
2 1.1363234302 0.19183629664092
|
|
3 0.45617043877 0.40597788538820
|
|
4 0.17470950748 0.43861485518224
|
|
D 1
|
|
1 0.61978796638E-01 1.0000000
|
|
F 1
|
|
1 0.2651500 1.0000000
|
|
|
|
ZIRCONIUM
|
|
S 3
|
|
1 5.8737890000 0.54255558714
|
|
2 4.2872700000 -0.95241333244
|
|
3 1.4641370000 -0.13703926411
|
|
S 1
|
|
1 0.83727682345 .88521584390
|
|
S 1
|
|
1 0.36849806511 1.0000000
|
|
S 1
|
|
1 0.77806859124E-01 1.0000000
|
|
S 1
|
|
1 0.30273088330E-01 1.0000000
|
|
P 4
|
|
1 2.8742240000 -0.46624086918
|
|
2 2.1199010000 0.45883133891
|
|
3 0.78845821105 0.58853912475
|
|
4 0.36332579847 0.35822232244
|
|
P 1
|
|
1 0.14951762021 1.0000000
|
|
P 1
|
|
1 0.30000000000E-01 1.0000000
|
|
D 4
|
|
1 4.2898623878 -0.12212868080E-01
|
|
2 1.3615557498 0.19692423520
|
|
3 0.56937550689 0.42057831659
|
|
4 0.22674948677 0.42757027999
|
|
D 1
|
|
1 0.83011031631E-01 1.0000000
|
|
F 1
|
|
1 0.3926100 1.0000000
|
|
|
|
NIOBIUM
|
|
S 3
|
|
1 6.5663010000 -0.94917907866
|
|
2 4.5864380000 1.5736372883
|
|
3 3.7537700000 0.36380422981
|
|
S 1
|
|
1 0.84187717437 1.0000000
|
|
S 1
|
|
1 0.38160666177 1.0000000
|
|
S 1
|
|
1 0.85819911368E-01 1.0000000
|
|
S 1
|
|
1 0.32702330370E-01 1.0000000
|
|
P 4
|
|
1 3.0700630000 -0.51025115881
|
|
2 2.2379640000 0.53570598017
|
|
3 0.80801969671 0.63102216351
|
|
4 0.35783343432 0.30205908942
|
|
P 1
|
|
1 0.13820085283 1.0000000
|
|
P 1
|
|
1 0.0360000 1.0000000
|
|
D 4
|
|
1 4.6170975867 -0.13574476955E-01
|
|
2 1.5663438480 0.20374310496
|
|
3 0.66952425826 0.42997453105
|
|
4 0.27140946867 0.4179975484761
|
|
D 1
|
|
1 0.10054426592 1.0000000
|
|
F 1
|
|
1 0.5227000 1.0000000
|
|
|
|
MOLYBDENUM
|
|
S 3
|
|
1 7.2033800000 -0.89310617237
|
|
2 5.0522950000 1.6074095756
|
|
3 2.9135330000 0.27804186088
|
|
S 1
|
|
1 0.97858218681 1.0000000
|
|
S 1
|
|
1 0.44369153753 1.0000000
|
|
S 1
|
|
1 0.92150090705E-01 1.0000000
|
|
S 1
|
|
1 0.34802246935E-01 1.0000000
|
|
P 4
|
|
1 3.1518660000 -0.71873040872
|
|
2 2.4534820000 0.76442887870
|
|
3 0.85030192180 0.64808585640
|
|
4 0.36918237179 0.26792115234
|
|
P 1
|
|
1 0.13490627460 1.0000000
|
|
P 1
|
|
1 0.38200000000E-01 1.0000000
|
|
D 4
|
|
1 5.0044445497 -0.21587364862E-01
|
|
2 1.7736823324 0.20958680086
|
|
3 0.76950591696 0.43730880599
|
|
4 0.31530878939 0.41123927009
|
|
D 1
|
|
1 0.11754374390 1.0000000
|
|
F 1
|
|
1 0.6554500 1.0000000
|
|
|
|
TECHNETIUM
|
|
S 3
|
|
1 7.4344020000 -1.1436289973
|
|
2 5.5513270000 1.8752000559
|
|
3 3.0230860000 0.23952854431
|
|
S 1
|
|
1 1.0647443990 1.0000000
|
|
S 1
|
|
1 0.48127808497 1.0000000
|
|
S 1
|
|
1 0.98299016952E-01 1.0000000
|
|
S 1
|
|
1 0.36659977936E-01 1.0000000
|
|
P 4
|
|
1 3.4490050000 -0.72277510434
|
|
2 2.6927370000 0.76458962802
|
|
3 0.94427370692 0.64533225171
|
|
4 0.41348148619 0.27195668811
|
|
P 1
|
|
1 0.15488152305 1.0000000
|
|
P 1
|
|
1 0.40300000000E-01 1.0000000
|
|
D 4
|
|
1 5.0906268699 -0.32176405405E-01
|
|
2 2.0156178510 0.21280802536
|
|
3 0.88113887240 0.44403309175
|
|
4 0.36427094833 0.40796933085
|
|
D 1
|
|
1 0.13678402297 1.0000000
|
|
F 1
|
|
1 0.7908500 1.0000000
|
|
|
|
RUTHENIUM
|
|
S 3
|
|
1 7.9365700000 -1.1772083350
|
|
2 5.9842450000 1.6197059592
|
|
3 4.8822200000 0.51065807556
|
|
S 1
|
|
1 1.1031002163 1.0000000
|
|
S 1
|
|
1 0.49818875261 1.0000000
|
|
S 1
|
|
1 0.10678711393 1.0000000
|
|
S 1
|
|
1 0.39191775872E-01 1.0000000
|
|
P 4
|
|
1 3.7546090000 -0.70777873563
|
|
2 2.9165710000 0.74954391484
|
|
3 1.0322209568 0.64660609645
|
|
4 0.45249553774 0.27029086816
|
|
P 1
|
|
1 0.16987042198 1.0000000
|
|
P 1
|
|
1 0.43000000000E-01 1.0000000
|
|
D 4
|
|
1 5.7341846619 -0.35266111560E-01
|
|
2 2.2483686294 0.21802502222
|
|
3 0.98376978359 0.44709565013
|
|
4 0.40379445583 0.40371732508
|
|
D 1
|
|
1 0.14978618173 1.0000000
|
|
F 1
|
|
1 0.9431400 1.0000000
|
|
|
|
RHODIUM
|
|
S 3
|
|
1 7.9177440000 0.14014042010165E+01
|
|
2 6.8412070000 -0.17975072656312E+01
|
|
3 2.9598400000 -0.16225754496571
|
|
S 1
|
|
1 1.3166643441 .87495110714057
|
|
S 1
|
|
1 0.56907152172 1.0000000
|
|
S 1
|
|
1 0.10059695193 1.0000000
|
|
S 1
|
|
1 0.37071460798E-01 1.0000000
|
|
P 4
|
|
1 4.1360790000 -0.55183328017626
|
|
2 2.9462810000 0.61370533515352
|
|
3 1.0792431924 0.64005434538256
|
|
4 0.46611217769 0.25958050755066
|
|
P 1
|
|
1 0.17453169991 1.0000000
|
|
P 1
|
|
1 0.0410000 1.0000000
|
|
D 4
|
|
1 6.8847131641 -0.15962387984517E-01
|
|
2 2.3837304391 0.23047555828858
|
|
3 1.0184384022 0.44075804027937
|
|
4 0.39957494644 0.39567661995894
|
|
D 1
|
|
1 0.13951120264 1.0000000
|
|
F 1
|
|
1 1.0949900 1.0000000
|
|
|
|
PALLADIUM
|
|
S 3
|
|
1 8.4756400000 1.2392391076
|
|
2 7.1657170000 -1.6563109970
|
|
3 3.1821100000 -0.13178619060
|
|
S 1
|
|
1 1.3973644196 1.0000000
|
|
S 1
|
|
1 0.60532955868 1.0000000
|
|
S 1
|
|
1 0.10229514209 1.0000000
|
|
S 1
|
|
1 0.37338972881E-01 1.0000000
|
|
P 4
|
|
1 4.2460970000 -0.82324104973
|
|
2 3.3925940000 0.87084659933
|
|
3 1.1975891264 0.63512225791
|
|
4 0.52673750585 0.27225338752
|
|
P 1
|
|
1 0.20607094098 1.0000000
|
|
P 1
|
|
1 0.37000000000E-01 1.0000000
|
|
D 4
|
|
1 7.3613290985 -0.17199885828E-01
|
|
2 2.6291037258 0.23313745275
|
|
3 1.1292744634 0.44536385867
|
|
4 0.44471659896 0.39293650406
|
|
D 1
|
|
1 0.15544893836 1.0000000
|
|
F 1
|
|
1 1.2462900 1.0000000
|
|
|
|
SILVER
|
|
S 3
|
|
1 9.0884420000 -1.9808918797
|
|
2 7.5407310000 2.7554513347
|
|
3 2.7940050000 0.22715408381
|
|
S 1
|
|
1 1.4918135849 1.0000000
|
|
S 1
|
|
1 0.63579159445 1.0000000
|
|
S 1
|
|
1 0.10368414161 1.0000000
|
|
S 1
|
|
1 0.37460004363E-01 1.0000000
|
|
P 4
|
|
1 4.4512400000 -0.99352103771
|
|
2 3.6752630000 1.0500525237
|
|
3 1.2610620905 0.64747532537
|
|
4 0.54212477498 0.25621550723
|
|
P 1
|
|
1 0.20221617026 1.0000000
|
|
P 1
|
|
1 0.0412000 1.0000000
|
|
D 4
|
|
1 7.7956672292 -0.17042912377E-01
|
|
2 2.8926510238 0.23446154803
|
|
3 1.2474273203 0.44765877533
|
|
4 0.49313817671 0.39064954560
|
|
D 1
|
|
1 0.17285032603 1.0000000
|
|
F 1
|
|
1 1.3971100 1.0000000
|
|
|
|
CADMIUM
|
|
S 3
|
|
1 9.7270110000 -1.7930075316
|
|
2 7.8375230000 2.6110318971
|
|
3 5.0891940000 0.10748428949
|
|
S 1
|
|
1 1.4981738327 1.0000000
|
|
S 1
|
|
1 0.67281383129 1.0000000
|
|
S 1
|
|
1 0.13297424875 1.0000000
|
|
S 1
|
|
1 0.46915090488E-01 1.0000000
|
|
P 4
|
|
1 4.7427160000 -1.0411923051
|
|
2 3.9366550000 1.1003682332
|
|
3 1.3569243142 0.65366639411
|
|
4 0.58791569541 0.24632369113
|
|
P 1
|
|
1 0.21371239619 1.0000000
|
|
P 1
|
|
1 0.0516000 1.0000000
|
|
D 4
|
|
1 7.8631040859 -0.21376239365E-01
|
|
2 3.2935059133 0.22596399568
|
|
3 1.4503676025 0.45294402972
|
|
4 0.59373316766 0.39218971958231E+00
|
|
D 1
|
|
1 0.21760141520 1.0000000
|
|
F 1
|
|
1 1.5981300 1.0000000
|
|
|
|
INDIUM
|
|
S 6
|
|
1 283.52297445 0.70132141424E-03
|
|
2 23.324282101 -0.90887432418E-01
|
|
3 16.868026844 0.28096825177
|
|
4 6.7866498137 -0.70697832452
|
|
5 1.6782596016 0.98671644913
|
|
6 0.78396870439 0.62568576302
|
|
S 2
|
|
1 1.8276654775 -0.34151640249
|
|
2 0.83753492534 -0.59696724334
|
|
S 1
|
|
1 0.16643068973 1.0000000
|
|
S 1
|
|
1 0.61143742809E-01 1.0000000
|
|
P 4
|
|
1 14.699191826 0.92248042349E-01
|
|
2 8.8709038051 -0.32437029300
|
|
3 1.1342905889 0.61162217018
|
|
4 0.52667652433 0.17609640386
|
|
P 1
|
|
1 2.3284433667 1.0000000
|
|
P 1
|
|
1 0.16859144934 1.0000000
|
|
P 1
|
|
1 0.50070381081E-01 1.0000000
|
|
D 5
|
|
1 31.378655926 0.54007004722E-02
|
|
2 18.290046326 -0.11208558948E-01
|
|
3 3.2551894590 0.30384519161
|
|
4 1.3874842584 0.54078109979
|
|
5 0.54248962672 0.38232680038
|
|
D 1
|
|
1 0.18000000000 1.0000000
|
|
|
|
TIN
|
|
S 6
|
|
1 375.95156177 0.15224884228E-02
|
|
2 23.661818008 -0.16776065030
|
|
3 19.946281315 0.33989090393
|
|
4 6.8240270454 -0.84441791529
|
|
5 1.8771488722 0.92646952846
|
|
6 0.82033199226 0.53091094490
|
|
S 2
|
|
1 10.341549887 -0.90331119154E-02
|
|
2 1.3672524155 0.22980877714
|
|
S 1
|
|
1 0.18314843823 1.0000000
|
|
S 1
|
|
1 0.69547226146E-01 1.0000000
|
|
P 4
|
|
1 21.293597748 0.37103218279E-01
|
|
2 8.8171842499 -0.32351709661
|
|
3 1.2347028371 0.83846760898
|
|
4 0.57869142617 0.23294977050
|
|
P 1
|
|
1 2.5084050284 1.0000000
|
|
P 1
|
|
1 0.21298577719 1.0000000
|
|
P 1
|
|
1 0.67364584657E-01 1.0000000
|
|
D 5
|
|
1 39.693023177 0.39185734275E-02
|
|
2 20.852179275 -0.68210073667E-02
|
|
3 3.6907832774 0.27938420495
|
|
4 1.5849404530 0.52607409874
|
|
5 0.62772693365 0.36149465348
|
|
D 1
|
|
1 0.20500000000 1.0000000
|
|
|
|
ANTIMONY
|
|
S 6
|
|
1 372.76139166 0.15878057239E-02
|
|
2 22.689478596 -0.15027605583
|
|
3 18.391547037 0.35915813039
|
|
4 7.6406271414 -0.74805091065
|
|
5 1.9052000235 0.92017581656
|
|
6 0.93007107773 0.46754079597
|
|
S 2
|
|
1 10.584496987 -0.14845336778E-01
|
|
2 1.4680242769 0.35289492025
|
|
S 1
|
|
1 0.21621190032 1.0000000
|
|
S 1
|
|
1 0.83546307041E-01 1.0000000
|
|
P 4
|
|
1 15.926550950 0.13206950012
|
|
2 10.052739237 -0.41511149340
|
|
3 1.2682183726 0.74197972626
|
|
4 0.57196620929 0.15580772750
|
|
P 1
|
|
1 2.6190751238 1.0000000
|
|
P 1
|
|
1 0.25183282652 1.0000000
|
|
P 1
|
|
1 0.83389127684E-01 1.0000000
|
|
D 5
|
|
1 45.485063360 0.32556415807E-02
|
|
2 18.504059617 -0.54952972010E-02
|
|
3 3.9156032308 0.27988806353
|
|
4 1.7142196009 0.51273377761
|
|
5 0.69675478242 0.33288802736
|
|
D 1
|
|
1 0.23060000000 1.0000000
|
|
|
|
TELLURIUM
|
|
S 6
|
|
1 396.47954659 0.26307731203E-02
|
|
2 21.919773309 -0.13203517066
|
|
3 18.061271390 0.36203197834
|
|
4 8.1403463241 -0.75591120276
|
|
5 2.0705998798 0.79192928400
|
|
6 0.97715185085 0.40558342540
|
|
S 2
|
|
1 11.263563841 -0.15212984183E-01
|
|
2 1.6122696062 0.35202140517
|
|
S 1
|
|
1 0.25095401705 1.0000000
|
|
S 1
|
|
1 0.97478452576E-01 1.0000000
|
|
P 4
|
|
1 17.479502221 0.11517799182
|
|
2 10.433943171 -0.41205302672
|
|
3 1.3623024763 0.78760578076
|
|
4 0.59239616258 0.15283299018
|
|
P 1
|
|
1 2.7961737670 1.0000000
|
|
P 1
|
|
1 0.29766401026 1.0000000
|
|
P 1
|
|
1 0.96151090240E-01 1.0000000
|
|
D 5
|
|
1 50.821835991 0.33763474774E-02
|
|
2 18.884095378 -0.35221408938E-02
|
|
3 4.2527304630 0.28254216065
|
|
4 1.8757557092 0.52039372916
|
|
5 0.77069282849 0.32213541689
|
|
D 1
|
|
1 0.25000000000 1.0000000
|
|
|
|
IODINE
|
|
S 6
|
|
1 445.90489176 0.20037290389E-02
|
|
2 23.336842412 -0.14989397324
|
|
3 19.583446104 0.36436474913
|
|
4 8.5112089186 -0.75538138199
|
|
5 2.1996161861 0.82816359356
|
|
6 1.0668970454 0.42161048110
|
|
S 2
|
|
1 11.720547572 -0.16160234511E-01
|
|
2 1.7625986449 0.35271525193
|
|
S 1
|
|
1 0.28697476318 1.0000000
|
|
S 1
|
|
1 0.11227609607 1.0000000
|
|
P 4
|
|
1 20.499027254 0.77159335656E-01
|
|
2 10.558754576 -0.38370372780
|
|
3 1.5015895485 0.83554174719
|
|
4 0.64597173095 0.16787259488
|
|
P 1
|
|
1 3.0288656771 1.0000000
|
|
P 1
|
|
1 0.34506591841 1.0000000
|
|
P 1
|
|
1 0.11134513813 1.0000000
|
|
D 5
|
|
1 51.235354920 0.40345130346E-02
|
|
2 15.616239482 -0.50768108881E-02
|
|
3 4.5266002139 0.29151065356
|
|
4 2.0529808766 0.51145783605
|
|
5 0.87640281623 0.31232025297
|
|
D 1
|
|
1 0.30900000000 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 0.1330000 1.0000000
|
|
D 1
|
|
1 0.33216214821E-01 1.0000000
|
|
|
|
BARIUM
|
|
S 3
|
|
1 2.3961900000 -5.9554766710
|
|
2 2.2433050000 6.6805648241
|
|
3 0.71740200000 -0.57055347037
|
|
S 1
|
|
1 0.27420073547 1.0000000
|
|
S 1
|
|
1 0.40933264188E-01 1.0000000
|
|
S 1
|
|
1 0.18060156423E-01 1.0000000
|
|
P 4
|
|
1 2.9267420000 0.79815276764
|
|
2 2.5207180000 -1.0707548832
|
|
3 0.67578180854 0.34940781448
|
|
4 0.31985844531 0.65041110673
|
|
P 1
|
|
1 0.13221792446 1.0000000
|
|
P 1
|
|
1 0.33039565349E-01 1.0000000
|
|
D 4
|
|
1 0.9663150 -0.9089380
|
|
2 0.8938280 0.9472400
|
|
3 0.2731950 0.3220570
|
|
4 0.1038910 0.4732600
|
|
D 1
|
|
1 0.0355780 0.365977
|
|
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 -0.44173707857
|
|
2 4.2709780000 0.85812489720
|
|
S 1
|
|
1 2.1823803999 1.0000000
|
|
S 1
|
|
1 0.48954926461 1.0000000
|
|
S 1
|
|
1 0.23292032550 1.0000000
|
|
S 1
|
|
1 0.55595529876E-01 1.0000000
|
|
S 1
|
|
1 0.22795184937E-01 1.0000000
|
|
P 4
|
|
1 3.0251610000 -0.28580266654872E+00
|
|
2 2.3820950000 0.51718364643673E+00
|
|
3 0.67246658081 -0.44823115995325E+00
|
|
4 0.32519427171 -0.58864843929619E+00
|
|
P 1
|
|
1 0.13635489374 1.0000000
|
|
P 1
|
|
1 0.0251000 1.0000000
|
|
D 4
|
|
1 1.2667182018 -0.17445579381106E+00
|
|
2 0.89049882672 0.25137236211233E+00
|
|
3 0.32947291040 0.44604068239531E+00
|
|
4 0.13398788830 0.44878277154181E+00
|
|
D 1
|
|
1 0.51275503081E-01 1.0000000
|
|
F 1
|
|
1 0.2568300 1.0000000
|
|
|
|
CERIUM
|
|
S 5
|
|
1 66920.681013 0.53354568996E-05
|
|
2 7142.4189995 0.62906813794E-04
|
|
3 1149.2279001 0.40871341262E-03
|
|
4 626.04740004 0.80490572888E-04
|
|
5 137.28129971 0.35588954015E-02
|
|
S 1
|
|
1 36.635533038 1.0000000
|
|
S 1
|
|
1 25.975592159 1.0000000
|
|
S 1
|
|
1 11.889999574 1.0000000
|
|
S 1
|
|
1 3.0252141613 1.0000000
|
|
S 1
|
|
1 1.5668772369 1.0000000
|
|
S 1
|
|
1 0.59326815387 1.0000000
|
|
S 1
|
|
1 0.26343106489 1.0000000
|
|
S 1
|
|
1 0.49133748072E-01 1.0000000
|
|
S 1
|
|
1 0.20685546487E-01 1.0000000
|
|
P 5
|
|
1 327.07561956 -0.33489743734E-03
|
|
2 109.94564007 -0.26261015536E-03
|
|
3 21.575915783 -0.70670945942E-01
|
|
4 13.204880001 0.24802797004
|
|
5 2.9004539974 -0.25830993994
|
|
P 3
|
|
1 6.4426597317 -0.10809251998
|
|
2 3.7874569108 -0.23799974996
|
|
3 1.8328214809 -0.19753993006
|
|
P 1
|
|
1 1.0537771288 1.0000000
|
|
P 1
|
|
1 0.52732910422 1.0000000
|
|
P 1
|
|
1 0.21315321772 1.0000000
|
|
P 1
|
|
1 0.34898392874E-01 1.0000000
|
|
D 6
|
|
1 351.43296951 0.15414562406E-03
|
|
2 111.98285958 0.72060746618E-03
|
|
3 35.871595375 0.60155762879E-02
|
|
4 13.727132278 -0.62660281656E-01
|
|
5 7.4300189900 0.18024001053
|
|
6 3.3622108638 0.43307483998
|
|
D 1
|
|
1 1.4312365877 1.0000000
|
|
D 1
|
|
1 0.43709174268 1.0000000
|
|
D 1
|
|
1 0.12735487202 1.0000000
|
|
F 5
|
|
1 79.378991738 0.45766774117E-02
|
|
2 28.911396995 0.33441257011E-01
|
|
3 13.740248106 0.84318250193E-01
|
|
4 6.2266295633 0.21059890002
|
|
5 2.5207644234 0.32118186996
|
|
F 1
|
|
1 0.94811920472 1.0000000
|
|
F 1
|
|
1 0.31387499838 1.0000000
|
|
G 1
|
|
1 0.37110000000 1.0000000
|
|
|
|
PRASEODYMIUM
|
|
S 5
|
|
1 66920.681015 0.76369340941E-05
|
|
2 10906.625000 0.51569193963E-04
|
|
3 2635.4146996 0.24501879969E-03
|
|
4 713.90510061 0.87722413549E-03
|
|
5 140.01389967 0.41756172123E-02
|
|
S 1
|
|
1 38.100154093 1.0000000
|
|
S 1
|
|
1 27.016551206 1.0000000
|
|
S 1
|
|
1 12.532871591 1.0000000
|
|
S 1
|
|
1 3.1667949543 1.0000000
|
|
S 1
|
|
1 1.6477546014 1.0000000
|
|
S 1
|
|
1 0.61574974082 1.0000000
|
|
S 1
|
|
1 0.27750298062 1.0000000
|
|
S 1
|
|
1 0.52191416356E-01 1.0000000
|
|
S 1
|
|
1 0.21039699571E-01 1.0000000
|
|
P 5
|
|
1 335.08596105 -0.39683096018E-03
|
|
2 109.62390003 -0.88479720880E-03
|
|
3 22.097167348 -0.70603385120E-01
|
|
4 13.617749969 0.24747714998
|
|
5 2.8337933994 -0.25776134002
|
|
P 3
|
|
1 6.4259834173 -0.10833966987
|
|
2 4.0716446267 -0.24027339995
|
|
3 1.8766169292 -0.19717944014
|
|
P 1
|
|
1 0.87659348545 1.0000000
|
|
P 1
|
|
1 0.43730332094 1.0000000
|
|
P 1
|
|
1 0.18792836188 1.0000000
|
|
P 1
|
|
1 0.35682474433E-01 1.0000000
|
|
D 6
|
|
1 354.29145885 0.19295285509E-03
|
|
2 107.35616142 0.98261801470E-03
|
|
3 36.668977420 0.78354085504E-02
|
|
4 14.289045043 -0.46781473828E-01
|
|
5 7.3106669747 0.20224393005
|
|
6 3.3824841621 0.43552238001
|
|
D 1
|
|
1 1.4547830236 1.0000000
|
|
D 1
|
|
1 0.44101265474 1.0000000
|
|
D 1
|
|
1 0.12674153308 1.0000000
|
|
F 5
|
|
1 80.308931263 0.51084883571E-02
|
|
2 29.466393817 0.40588973634E-01
|
|
3 14.273415822 0.87182341259E-01
|
|
4 6.9386163869 0.20857918012
|
|
5 2.9117157313 0.33235294992
|
|
F 1
|
|
1 1.1227836429 1.0000000
|
|
F 1
|
|
1 0.38494384331 1.0000000
|
|
G 1
|
|
1 0.40950000000 1.0000000
|
|
|
|
NEODYMIUM
|
|
S 5
|
|
1 67945.589998 0.15299711665E-04
|
|
2 9404.4082999 0.12674409408E-03
|
|
3 2084.3176993 0.61221710105E-03
|
|
4 586.98950146 0.17739474060E-02
|
|
5 142.94059959 0.53914813391E-02
|
|
S 1
|
|
1 39.693624133 1.0000000
|
|
S 1
|
|
1 28.133555003 1.0000000
|
|
S 1
|
|
1 13.073869856 1.0000000
|
|
S 1
|
|
1 3.3462733223 1.0000000
|
|
S 1
|
|
1 1.7240490407 1.0000000
|
|
S 1
|
|
1 0.64202940985 1.0000000
|
|
S 1
|
|
1 0.28282444878 1.0000000
|
|
S 1
|
|
1 0.51912354259E-01 1.0000000
|
|
S 1
|
|
1 0.21699999987E-01 1.0000000
|
|
P 5
|
|
1 337.91791098 -0.68684743279E-03
|
|
2 106.72630985 -0.15787010610E-02
|
|
3 22.902021939 -0.72541473805E-01
|
|
4 14.182626993 0.24738324005
|
|
5 2.9833820008 -0.25916927995
|
|
P 3
|
|
1 6.6991804793 -0.10880817996
|
|
2 4.1313898195 -0.24075763993
|
|
3 1.9296521950 -0.19053217011
|
|
P 1
|
|
1 0.98289917086 1.0000000
|
|
P 1
|
|
1 0.46725112090 1.0000000
|
|
P 1
|
|
1 0.19101301246 1.0000000
|
|
P 1
|
|
1 0.32216083150E-01 1.0000000
|
|
D 6
|
|
1 349.97103999 0.25325849637E-03
|
|
2 106.30916032 0.19954104062E-02
|
|
3 38.084790456 0.10264026870E-01
|
|
4 15.190266675 -0.31479363586E-01
|
|
5 7.3468424902 0.22394642000
|
|
6 3.7457186247 0.43695051001
|
|
D 1
|
|
1 1.8206864375 1.0000000
|
|
D 1
|
|
1 0.80467431362 1.0000000
|
|
D 1
|
|
1 0.15580459753 1.0000000
|
|
F 5
|
|
1 77.665409193 0.63307674623E-02
|
|
2 29.584871085 0.43162867647E-01
|
|
3 14.306700869 0.98413837402E-01
|
|
4 6.7961131907 0.22166241017
|
|
5 2.8312623068 0.33558116987
|
|
F 1
|
|
1 1.0716150265 1.0000000
|
|
F 1
|
|
1 0.35287431856 1.0000000
|
|
G 1
|
|
1 0.43120000000 1.0000000
|
|
|
|
PROMETHIUM
|
|
S 5
|
|
1 69643.016176 0.28524459838E-04
|
|
2 10512.975999 0.21910586809E-03
|
|
3 2302.5577969 0.11389150806E-02
|
|
4 604.32326068 0.36892815305E-02
|
|
5 155.76229941 0.77625627052E-02
|
|
S 1
|
|
1 43.173804972 1.0000000
|
|
S 1
|
|
1 27.981875362 1.0000000
|
|
S 1
|
|
1 13.759168425 1.0000000
|
|
S 1
|
|
1 3.4726211613 1.0000000
|
|
S 1
|
|
1 1.7876809716 1.0000000
|
|
S 1
|
|
1 0.66385932618 1.0000000
|
|
S 1
|
|
1 0.29432286562 1.0000000
|
|
S 1
|
|
1 0.53777377236E-01 1.0000000
|
|
S 1
|
|
1 0.22018456682E-01 1.0000000
|
|
P 5
|
|
1 339.76458492 -0.85533779048E-03
|
|
2 106.61582962 -0.22084780946E-02
|
|
3 23.794945082 -0.74383344179E-01
|
|
4 14.890097958 0.24496901994
|
|
5 3.1414930061 -0.26350303009
|
|
P 3
|
|
1 6.8176925828 -0.10890188998
|
|
2 4.2360890656 -0.23718506004
|
|
3 1.8070700790 -0.19282191998
|
|
P 1
|
|
1 0.83763790196 1.0000000
|
|
P 1
|
|
1 0.33437243501 1.0000000
|
|
P 1
|
|
1 0.96665953889E-01 1.0000000
|
|
P 1
|
|
1 0.29345374972E-01 1.0000000
|
|
D 6
|
|
1 340.78166324 0.40090731479E-03
|
|
2 103.67954340 0.26107865185E-02
|
|
3 37.212747099 0.14168064598E-01
|
|
4 16.602821939 -0.11024496723E-01
|
|
5 7.1740013083 0.24287043000
|
|
6 3.5481812680 0.43182902002
|
|
D 1
|
|
1 1.6031227152 1.0000000
|
|
D 1
|
|
1 0.52788598860 1.0000000
|
|
D 1
|
|
1 0.15181013129 1.0000000
|
|
F 5
|
|
1 72.470874239 0.93295004544E-02
|
|
2 29.754673135 0.48048088325E-01
|
|
3 15.159459966 0.10434721027
|
|
4 7.3059158563 0.23374544012
|
|
5 3.1235836074 0.34134276989
|
|
F 1
|
|
1 1.2296570326 1.0000000
|
|
F 1
|
|
1 0.42651965763 1.0000000
|
|
G 1
|
|
1 0.45190000000 1.0000000
|
|
|
|
SAMARIUM
|
|
S 5
|
|
1 70078.183999 0.97230218786E-04
|
|
2 10598.384001 0.73039917963E-03
|
|
3 2413.8659813 0.35241969483E-02
|
|
4 677.74958354 0.10873685440E-01
|
|
5 208.50729961 0.17823373512E-01
|
|
S 1
|
|
1 39.361834556 1.0000000
|
|
S 1
|
|
1 28.000117581 1.0000000
|
|
S 1
|
|
1 14.359901230 1.0000000
|
|
S 1
|
|
1 3.6115081437 1.0000000
|
|
S 1
|
|
1 1.8452436656 1.0000000
|
|
S 1
|
|
1 0.68755398748 1.0000000
|
|
S 1
|
|
1 0.30004687876 1.0000000
|
|
S 1
|
|
1 0.53898522745E-01 1.0000000
|
|
S 1
|
|
1 0.22400000442E-01 1.0000000
|
|
P 5
|
|
1 365.65286301 -0.12196898550E-02
|
|
2 105.29773949 -0.35909003380E-02
|
|
3 24.339551161 -0.75731143696E-01
|
|
4 15.293513699 0.24472636999
|
|
5 3.2101959346 -0.25984893011
|
|
P 3
|
|
1 7.1969927288 -0.10977635008
|
|
2 4.3944609073 -0.24311410007
|
|
3 1.8261131160 -0.18652601986
|
|
P 1
|
|
1 0.84185848861 1.0000000
|
|
P 1
|
|
1 0.32255448005 1.0000000
|
|
P 1
|
|
1 0.87960642073E-01 1.0000000
|
|
P 1
|
|
1 0.27281849214E-01 1.0000000
|
|
D 6
|
|
1 388.42259953 0.43263033556E-03
|
|
2 117.35866087 0.34657844457E-02
|
|
3 41.345650947 0.16632857824E-01
|
|
4 20.624528720 0.59004198371E-02
|
|
5 7.3511283570 0.26020419031
|
|
6 3.8170409168 0.43198572998
|
|
D 1
|
|
1 1.8416227437 1.0000000
|
|
D 1
|
|
1 0.78138452236 1.0000000
|
|
D 1
|
|
1 0.15236207050 1.0000000
|
|
F 5
|
|
1 74.435310286 0.10265396687E-01
|
|
2 29.270586194 0.58266710950E-01
|
|
3 14.541852327 0.11504953053
|
|
4 7.1263134832 0.24161326015
|
|
5 3.0279046743 0.34535019981
|
|
F 1
|
|
1 1.1641116609 1.0000000
|
|
F 1
|
|
1 0.38851335321 1.0000000
|
|
G 1
|
|
1 0.46380000000 1.0000000
|
|
|
|
EUROPIUM
|
|
S 5
|
|
1 70059.419949 0.99197881972E-04
|
|
2 10776.234966 0.70975938746E-03
|
|
3 2482.4900699 0.33691158275E-02
|
|
4 704.07506082 0.10209902958E-01
|
|
5 216.79260142 0.16593060495E-01
|
|
S 1
|
|
1 41.471766837 1.0000000
|
|
S 1
|
|
1 29.498972710 1.0000000
|
|
S 1
|
|
1 15.057310790 1.0000000
|
|
S 1
|
|
1 3.7727553910 1.0000000
|
|
S 1
|
|
1 1.9221051172 1.0000000
|
|
S 1
|
|
1 0.71313201845 1.0000000
|
|
S 1
|
|
1 0.30957297075 1.0000000
|
|
S 1
|
|
1 0.54890137237E-01 1.0000000
|
|
S 1
|
|
1 0.22706210302E-01 1.0000000
|
|
P 5
|
|
1 363.81825643 -0.18457241391E-02
|
|
2 105.32639881 -0.55154684182E-02
|
|
3 25.605685306 -0.75874760044E-01
|
|
4 15.746330058 0.24469517993
|
|
5 3.3155465132 -0.26310272012
|
|
P 3
|
|
1 7.3890693878 -0.10983328004
|
|
2 4.5696085919 -0.24311507006
|
|
3 1.9405010919 -0.18613840990
|
|
P 1
|
|
1 0.90025203113 1.0000000
|
|
P 1
|
|
1 0.34467925482 1.0000000
|
|
P 1
|
|
1 0.99026561981E-01 1.0000000
|
|
P 1
|
|
1 0.27117030486E-01 1.0000000
|
|
D 6
|
|
1 388.95843069 0.48491161287E-03
|
|
2 118.25438952 0.40594973114E-02
|
|
3 44.980829930 0.16014298481E-01
|
|
4 22.794111850 0.12393364502E-01
|
|
5 7.7117339945 0.27043836001
|
|
6 3.9280999668 0.44542158001
|
|
D 1
|
|
1 1.9018719826 1.0000000
|
|
D 1
|
|
1 0.83079077308 1.0000000
|
|
D 1
|
|
1 0.15011757356 1.0000000
|
|
F 5
|
|
1 77.583757677 0.10553012459E-01
|
|
2 30.866596970 0.58875716023E-01
|
|
3 15.180664105 0.12662002048
|
|
4 7.2916025684 0.25335075021
|
|
5 3.1127394549 0.34800837980
|
|
F 1
|
|
1 1.2059599667 1.0000000
|
|
F 1
|
|
1 0.40570730226 1.0000000
|
|
G 1
|
|
1 0.47520000000 1.0000000
|
|
|
|
GADOLINIUM
|
|
S 5
|
|
1 70672.988842 0.13491222598E-03
|
|
2 10580.420123 0.10050373452E-02
|
|
3 2466.3122578 0.46044857317E-02
|
|
4 713.68236714 0.13578154286E-01
|
|
5 223.69591430 0.20914481676E-01
|
|
S 1
|
|
1 42.882440855 1.0000000
|
|
S 1
|
|
1 30.594960649 1.0000000
|
|
S 1
|
|
1 15.796292588 1.0000000
|
|
S 1
|
|
1 3.9530122875 1.0000000
|
|
S 1
|
|
1 2.0083476883 1.0000000
|
|
S 1
|
|
1 0.74791439757 1.0000000
|
|
S 1
|
|
1 0.32543426236 1.0000000
|
|
S 1
|
|
1 0.58171880053E-01 1.0000000
|
|
S 1
|
|
1 0.23662469351E-01 1.0000000
|
|
P 5
|
|
1 366.75975373 -0.23557870017E-02
|
|
2 99.807077813 -0.74172969981E-02
|
|
3 25.498862418 -0.75604159993E-01
|
|
4 15.824827186 0.24452015993
|
|
5 3.4693745369 -0.26401503013
|
|
P 3
|
|
1 8.2258167560 -0.11016579005
|
|
2 4.7846927151 -0.24309982006
|
|
3 2.0168765835 -0.18593105989
|
|
P 1
|
|
1 0.97079278533 1.0000000
|
|
P 1
|
|
1 0.37486899889 1.0000000
|
|
P 1
|
|
1 0.10441243843 1.0000000
|
|
P 1
|
|
1 0.28325755449E-01 1.0000000
|
|
D 6
|
|
1 405.72356198 0.58721238134E-03
|
|
2 123.05344944 0.51412189041E-02
|
|
3 46.085118127 0.21448973302E-01
|
|
4 20.104383231 0.29566788500E-01
|
|
5 7.8258997682 0.28823956979
|
|
6 3.9400714322 0.44970385020
|
|
D 1
|
|
1 1.8215864237 1.0000000
|
|
D 1
|
|
1 0.59087478853 1.0000000
|
|
D 1
|
|
1 0.16712976332 1.0000000
|
|
F 5
|
|
1 83.081389310 0.10738945322E-01
|
|
2 32.747387574 0.62668424876E-01
|
|
3 16.030306565 0.13767548062
|
|
4 7.5799787884 0.27070610989
|
|
5 3.2777593125 0.34421737998
|
|
F 1
|
|
1 1.3242580569 1.0000000
|
|
F 1
|
|
1 0.46934193279 1.0000000
|
|
G 1
|
|
1 0.47570000000 1.0000000
|
|
|
|
TERBIUM
|
|
S 5
|
|
1 72673.311488 0.14568217710E-03
|
|
2 10989.650477 0.11000820502E-02
|
|
3 2521.0983866 0.50318124577E-02
|
|
4 728.09478097 0.14804769621E-01
|
|
5 226.99792207 0.22006765193E-01
|
|
S 1
|
|
1 45.989671787 1.0000000
|
|
S 1
|
|
1 30.473312203 1.0000000
|
|
S 1
|
|
1 15.779661091 1.0000000
|
|
S 1
|
|
1 4.0279316031 1.0000000
|
|
S 1
|
|
1 2.0672798743 1.0000000
|
|
S 1
|
|
1 0.74668603706 1.0000000
|
|
S 1
|
|
1 0.32664475911 1.0000000
|
|
S 1
|
|
1 0.56909503951E-01 1.0000000
|
|
S 1
|
|
1 0.23027800906E-01 1.0000000
|
|
P 5
|
|
1 357.14642927 -0.30681911840E-02
|
|
2 94.399796698 -0.93026341423E-02
|
|
3 26.370815933 -0.75877274532E-01
|
|
4 16.578452270 0.24450742997
|
|
5 3.7299580637 -0.26425700009
|
|
P 3
|
|
1 8.9783667840 -0.11200751000
|
|
2 5.0058387883 -0.24216563999
|
|
3 2.0767556864 -0.18561540979
|
|
P 1
|
|
1 1.0220961420 1.0000000
|
|
P 1
|
|
1 0.38451203840 1.0000000
|
|
P 1
|
|
1 0.93403626126E-01 1.0000000
|
|
P 1
|
|
1 0.29116323886E-01 1.0000000
|
|
D 6
|
|
1 410.38724477 0.76762885507E-03
|
|
2 124.50624931 0.66619108693E-02
|
|
3 46.060723795 0.27967960903E-01
|
|
4 19.254887385 0.50348234108E-01
|
|
5 7.7611676900 0.30159477014
|
|
6 3.8319967727 0.44821338012
|
|
D 1
|
|
1 1.7333839594 1.0000000
|
|
D 1
|
|
1 0.55146364930 1.0000000
|
|
D 1
|
|
1 0.15354959261 1.0000000
|
|
F 5
|
|
1 89.372383646 0.10547996985E-01
|
|
2 34.757223207 0.65920614107E-01
|
|
3 16.680730120 0.14943112296
|
|
4 7.8085811596 0.28130484996
|
|
5 3.3636964760 0.35013101004
|
|
F 1
|
|
1 1.3483161215 1.0000000
|
|
F 1
|
|
1 0.47311576499 1.0000000
|
|
G 1
|
|
1 0.47760000000 1.0000000
|
|
|
|
DYSPROSIUM
|
|
S 5
|
|
1 78529.948072 0.13813867260E-03
|
|
2 11854.699114 0.10361396066E-02
|
|
3 2717.9950256 0.48454778423E-02
|
|
4 778.14268262 0.14383726252E-01
|
|
5 242.08688500 0.21605187258E-01
|
|
S 1
|
|
1 48.350673998 1.0000000
|
|
S 1
|
|
1 31.843930831 1.0000000
|
|
S 1
|
|
1 16.873742242 1.0000000
|
|
S 1
|
|
1 4.2046140095 1.0000000
|
|
S 1
|
|
1 2.1291156307 1.0000000
|
|
S 1
|
|
1 0.78388753844 1.0000000
|
|
S 1
|
|
1 0.34245228534 1.0000000
|
|
S 1
|
|
1 0.59190583219E-01 1.0000000
|
|
S 1
|
|
1 0.23700815387E-01 1.0000000
|
|
P 5
|
|
1 376.96796859 -0.37870755201E-02
|
|
2 98.858655817 -0.11877107583E-01
|
|
3 26.884229461 -0.71362700005E-01
|
|
4 16.404088678 0.24138094015
|
|
5 3.8008754878 -0.26876671005
|
|
P 3
|
|
1 11.010202433 -0.11784210992
|
|
2 5.4423045780 -0.24425209995
|
|
3 2.0660769990 -0.17827309973
|
|
P 1
|
|
1 1.1129094543 1.0000000
|
|
P 1
|
|
1 0.42234512660 1.0000000
|
|
P 1
|
|
1 0.12007617075 1.0000000
|
|
P 1
|
|
1 0.32387494996E-01 1.0000000
|
|
D 6
|
|
1 408.90774405 0.97993647933E-03
|
|
2 125.19030341 0.73347503213E-02
|
|
3 46.688028092 0.32878974607E-01
|
|
4 18.759769159 0.63400352120E-01
|
|
5 7.7821827368 0.31045745027
|
|
6 3.7424993815 0.44334918007
|
|
D 1
|
|
1 1.6344044471 1.0000000
|
|
D 1
|
|
1 0.48583613489 1.0000000
|
|
D 1
|
|
1 0.13345802106 1.0000000
|
|
F 5
|
|
1 86.149632622 0.13278377228E-01
|
|
2 34.717048147 0.71385053945E-01
|
|
3 16.899122478 0.15811715085
|
|
4 7.9036466066 0.28912595001
|
|
5 3.4136465041 0.34964378005
|
|
F 1
|
|
1 1.3694068892 1.0000000
|
|
F 1
|
|
1 0.47978951260 1.0000000
|
|
G 1
|
|
1 0.47820000000 1.0000000
|
|
|
|
HOLMIUM
|
|
S 5
|
|
1 86373.971970 0.79015833237E-04
|
|
2 13014.199991 0.59044153582E-03
|
|
3 2974.2416816 0.28044165532E-02
|
|
4 841.50102397 0.83654110434E-02
|
|
5 258.12229953 0.13417454822E-01
|
|
S 1
|
|
1 49.797436241 1.0000000
|
|
S 1
|
|
1 35.619129432 1.0000000
|
|
S 1
|
|
1 18.132831603 1.0000000
|
|
S 1
|
|
1 4.4388465321 1.0000000
|
|
S 1
|
|
1 2.2178997015 1.0000000
|
|
S 1
|
|
1 0.82910712504 1.0000000
|
|
S 1
|
|
1 0.35754269507 1.0000000
|
|
S 1
|
|
1 0.60448304436E-01 1.0000000
|
|
S 1
|
|
1 0.24325813546E-01 1.0000000
|
|
P 5
|
|
1 375.06118609 -0.46796071569E-02
|
|
2 99.913165016 -0.14195747920E-01
|
|
3 27.864912243 -0.67656444679E-01
|
|
4 16.549344888 0.23909121016
|
|
5 3.9370381918 -0.28419176015
|
|
P 3
|
|
1 11.888029769 -0.12903641994
|
|
2 5.8162113192 -0.22873476010
|
|
3 2.1380311989 -0.17723865993
|
|
P 1
|
|
1 1.5218672655 1.0000000
|
|
P 1
|
|
1 0.62990396448 1.0000000
|
|
P 1
|
|
1 0.24707353259 1.0000000
|
|
P 1
|
|
1 0.38623978525E-01 1.0000000
|
|
D 6
|
|
1 454.17722117 0.10110825311E-02
|
|
2 138.09620072 0.83338313893E-02
|
|
3 52.230007807 0.35618173184E-01
|
|
4 21.837837917 0.76820126208E-01
|
|
5 8.5371238221 0.29226370021
|
|
6 4.1763491634 0.45716800011
|
|
D 1
|
|
1 1.8539028382 1.0000000
|
|
D 1
|
|
1 0.55365841853 1.0000000
|
|
D 1
|
|
1 0.15020740951 1.0000000
|
|
F 5
|
|
1 108.24992900 0.85764844126E-02
|
|
2 40.685432927 0.62987987351E-01
|
|
3 18.662280664 0.16365688122
|
|
4 8.3486301092 0.29582468954
|
|
5 3.5665363921 0.34369415009
|
|
F 1
|
|
1 1.4413881005 1.0000000
|
|
F 1
|
|
1 0.50707136518 1.0000000
|
|
G 1
|
|
1 0.49850000000 1.0000000
|
|
|
|
ERBIUM
|
|
S 5
|
|
1 89905.087967 0.62781657270E-04
|
|
2 13532.874009 0.47657103982E-03
|
|
3 3087.3041851 0.22605413622E-02
|
|
4 870.91988365 0.67086319856E-02
|
|
5 263.42619956 0.10879330861E-01
|
|
S 1
|
|
1 52.500713895 1.0000000
|
|
S 1
|
|
1 37.581382089 1.0000000
|
|
S 1
|
|
1 18.912971679 1.0000000
|
|
S 1
|
|
1 4.6239214498 1.0000000
|
|
S 1
|
|
1 2.3041930973 1.0000000
|
|
S 1
|
|
1 0.85863412999 1.0000000
|
|
S 1
|
|
1 0.37110262826 1.0000000
|
|
S 1
|
|
1 0.61662491480E-01 1.0000000
|
|
S 1
|
|
1 0.24584445323E-01 1.0000000
|
|
P 5
|
|
1 414.60237000 -0.48621713352E-02
|
|
2 108.84329626 -0.15954630848E-01
|
|
3 31.617029575 -0.56262592664E-01
|
|
4 16.756354088 0.23405978991
|
|
5 4.3246811920 -0.30821373958
|
|
P 3
|
|
1 12.016230353 -0.14605900029
|
|
2 6.0054176475 -0.21361596969
|
|
3 2.4556283406 -0.17724687980
|
|
P 1
|
|
1 1.6586351400 1.0000000
|
|
P 1
|
|
1 0.68003410285 1.0000000
|
|
P 1
|
|
1 0.27167236103 1.0000000
|
|
P 1
|
|
1 0.68570272858E-01 1.0000000
|
|
P 1
|
|
1 0.26118405217E-01 1.0000000
|
|
D 6
|
|
1 442.45728590 0.14478671600E-02
|
|
2 134.20246886 0.11547711137E-01
|
|
3 51.740820342 0.46847287330E-01
|
|
4 21.674727910 0.10408299926
|
|
5 8.6565948052 0.28843400029
|
|
6 4.2019652925 0.44983300012
|
|
D 1
|
|
1 1.8425605547 1.0000000
|
|
D 1
|
|
1 0.53932759071 1.0000000
|
|
D 1
|
|
1 0.14463366682 1.0000000
|
|
F 5
|
|
1 97.460421254 0.11457647551E-01
|
|
2 37.497554672 0.72156098423E-01
|
|
3 18.142214451 0.16596525079
|
|
4 8.6138851625 0.29062700003
|
|
5 3.7452822405 0.35241091001
|
|
F 1
|
|
1 1.4954025305 1.0000000
|
|
F 1
|
|
1 0.52001167737 1.0000000
|
|
G 1
|
|
1 0.50180000000 1.0000000
|
|
|
|
THULIUM
|
|
S 5
|
|
1 91965.759228 0.55384355173E-04
|
|
2 13821.594353 0.42774408339E-03
|
|
3 3143.7521729 0.20204350489E-02
|
|
4 882.60127815 0.59394911934E-02
|
|
5 261.84789278 0.96767227159E-02
|
|
S 1
|
|
1 55.446250820 1.0000000
|
|
S 1
|
|
1 39.701306530 1.0000000
|
|
S 1
|
|
1 19.614500411 1.0000000
|
|
S 1
|
|
1 4.8055266289 1.0000000
|
|
S 1
|
|
1 2.3958621920 1.0000000
|
|
S 1
|
|
1 0.88600032866 1.0000000
|
|
S 1
|
|
1 0.38296645746 1.0000000
|
|
S 1
|
|
1 0.63324394276E-01 1.0000000
|
|
S 1
|
|
1 0.24839453223E-01 1.0000000
|
|
P 5
|
|
1 447.74034769 -0.56082759494E-02
|
|
2 126.61598061 -0.15740707454E-01
|
|
3 42.846030212 -0.35693239643E-01
|
|
4 14.620143654 0.23707232643
|
|
5 5.3826925329 -0.30606571373
|
|
P 3
|
|
1 11.997380080 -0.15260477351
|
|
2 9.6939488611 -0.20494535360
|
|
3 2.0511563109 -0.19277187880
|
|
P 1
|
|
1 3.5246020273 1.0000000
|
|
P 1
|
|
1 1.0748212748 1.0000000
|
|
P 1
|
|
1 0.39017415764 1.0000000
|
|
P 1
|
|
1 0.86765807946E-01 1.0000000
|
|
P 1
|
|
1 0.28346699677E-01 1.0000000
|
|
D 6
|
|
1 463.65232204 0.15381961326E-02
|
|
2 140.85622654 0.12431266815E-01
|
|
3 53.717359731 0.51098329495E-01
|
|
4 22.468683724 0.11279245570
|
|
5 8.9380983395 0.29452098133
|
|
6 4.3437773168 0.44667107086
|
|
D 1
|
|
1 1.9183720211 1.0000000
|
|
D 1
|
|
1 0.54418575030 1.0000000
|
|
D 1
|
|
1 0.14117024772 1.0000000
|
|
F 5
|
|
1 96.827799324 0.12757814367E-01
|
|
2 40.949653187 0.63002895084E-01
|
|
3 19.695397309 0.17586841617
|
|
4 8.7315556943 0.30967510651
|
|
5 3.6689468471 0.35085352628
|
|
F 1
|
|
1 1.4459429550 1.0000000
|
|
F 1
|
|
1 0.50245034801 1.0000000
|
|
G 1
|
|
1 0.50660000000 1.0000000
|
|
|
|
YTTERBIUM
|
|
S 5
|
|
1 91989.726027 0.52187005546E-04
|
|
2 13799.296585 0.36758170034E-03
|
|
3 3096.0050039 0.18368404898E-02
|
|
4 869.11012492 0.50840290105E-02
|
|
5 250.89341319 0.88606065090E-02
|
|
S 1
|
|
1 58.413769586 1.0000000
|
|
S 1
|
|
1 41.782846557 1.0000000
|
|
S 1
|
|
1 20.259771605 1.0000000
|
|
S 1
|
|
1 4.9937685493 1.0000000
|
|
S 1
|
|
1 2.4825729800 1.0000000
|
|
S 1
|
|
1 0.91759459846 1.0000000
|
|
S 1
|
|
1 0.38551515024 1.0000000
|
|
S 1
|
|
1 0.61370083338E-01 1.0000000
|
|
S 1
|
|
1 0.24997099686E-01 1.0000000
|
|
P 5
|
|
1 416.86700956 -0.16268481342E-01
|
|
2 96.481417683 -0.58162218014E-01
|
|
3 40.013959677 -0.42501610663E-01
|
|
4 15.610360735 0.23912170549
|
|
5 6.0887652359 -0.30582286695
|
|
P 3
|
|
1 8.3561524307 -0.17001415508
|
|
2 7.2255442217 -0.20297754820
|
|
3 1.9208084525 -0.19289041127
|
|
P 1
|
|
1 3.7770764517 1.0000000
|
|
P 1
|
|
1 1.0545931624 1.0000000
|
|
P 1
|
|
1 0.37562761990 1.0000000
|
|
P 1
|
|
1 0.79149270799E-01 1.0000000
|
|
P 1
|
|
1 0.25355670803E-01 1.0000000
|
|
D 6
|
|
1 388.96482736 0.25515071675E-02
|
|
2 137.49130274 0.14528609874E-01
|
|
3 55.792345891 0.60991557322E-01
|
|
4 22.571827044 0.14412482464
|
|
5 9.0035643474 0.28721178661
|
|
6 4.2976890355 0.44545416256
|
|
D 1
|
|
1 1.8355580546 1.0000000
|
|
D 1
|
|
1 0.51822929528 1.0000000
|
|
D 1
|
|
1 0.15172122662 1.0000000
|
|
F 5
|
|
1 106.01035185 0.99659427222E-02
|
|
2 39.247515245 0.73022899562E-01
|
|
3 17.204384375 0.19721745080
|
|
4 7.3139367742 0.30638718734
|
|
5 2.9896508329 0.30385067097
|
|
F 1
|
|
1 1.1471116131 1.0000000
|
|
F 1
|
|
1 0.38042267771 1.0000000
|
|
G 1
|
|
1 0.51330000000 1.0000000
|
|
|
|
LUTETIUM
|
|
S 5
|
|
1 95170.170993 0.22048071918E-04
|
|
2 15488.459998 0.14580380945E-03
|
|
3 3776.2465986 0.65203151917E-03
|
|
4 1079.0522042 0.20386734814E-02
|
|
5 268.95400890 0.51271478497E-02
|
|
S 1
|
|
1 63.480150654 1.0000000
|
|
S 1
|
|
1 45.178236733 1.0000000
|
|
S 1
|
|
1 21.463101062 1.0000000
|
|
S 1
|
|
1 5.3501284738 1.0000000
|
|
S 1
|
|
1 2.6784324209 1.0000000
|
|
S 1
|
|
1 1.0286996374 1.0000000
|
|
S 1
|
|
1 0.44065582250 1.0000000
|
|
S 1
|
|
1 0.79102478336E-01 1.0000000
|
|
S 1
|
|
1 0.31295760125E-01 1.0000000
|
|
P 5
|
|
1 489.41244804 -0.59172755508E-02
|
|
2 133.95373952 -0.17374475216E-01
|
|
3 45.499231322 -0.35436272607E-01
|
|
4 15.561271894 0.23702673982
|
|
5 5.8487824789 -0.30715978024
|
|
P 3
|
|
1 12.304490544 -0.15335298012
|
|
2 11.051197278 -0.20411242014
|
|
3 2.0069549241 -0.19274218978
|
|
P 1
|
|
1 3.7750599965 1.0000000
|
|
P 1
|
|
1 1.1351251245 1.0000000
|
|
P 1
|
|
1 0.40414348915 1.0000000
|
|
P 1
|
|
1 0.81876438258E-01 1.0000000
|
|
P 1
|
|
1 0.29091071778E-01 1.0000000
|
|
D 6
|
|
1 487.98257108 0.22003768687E-02
|
|
2 146.93406718 0.17961502146E-01
|
|
3 55.761579916 0.74133589068E-01
|
|
4 22.898741759 0.16158924962
|
|
5 9.1045787832 0.30816877026
|
|
6 4.1457846324 0.44860151987
|
|
D 1
|
|
1 1.7383363795 1.0000000
|
|
D 1
|
|
1 0.47338644306 1.0000000
|
|
D 1
|
|
1 0.12126581102 1.0000000
|
|
F 5
|
|
1 110.27466442 0.10473142686E-01
|
|
2 41.223249497 0.75005497458E-01
|
|
3 17.728967182 0.20262004978
|
|
4 7.4262392641 0.30601327947
|
|
5 3.0434594520 0.29349093032
|
|
F 1
|
|
1 1.1752462623 1.0000000
|
|
F 1
|
|
1 0.38920482897 1.0000000
|
|
G 1
|
|
1 0.70090000000 1.0000000
|
|
|
|
HAFNIUM
|
|
S 2
|
|
1 14.592485000 -0.80196298812
|
|
2 11.547491000 1.5261602829
|
|
S 1
|
|
1 4.9112973928 1.0000000
|
|
S 1
|
|
1 0.79665469409 1.0000000
|
|
S 1
|
|
1 0.34234072894 1.0000000
|
|
S 1
|
|
1 0.98109197714E-01 1.0000000
|
|
S 1
|
|
1 0.36190984443E-01 1.0000000
|
|
P 4
|
|
1 6.7265310000 0.65076205465872
|
|
2 5.9599790000 -0.83713508620273
|
|
3 1.0921117054 0.50570506286223
|
|
4 0.49702823217 0.51965388690539
|
|
P 1
|
|
1 0.20258973792 1.0000000
|
|
P 1
|
|
1 0.0336000 1.0000000
|
|
D 4
|
|
1 3.9820623229 -0.042446023944105
|
|
2 1.3077987772 0.18409232564002
|
|
3 0.53272310298 0.41484423515705
|
|
4 0.20564954488 0.44224303496859
|
|
D 1
|
|
1 0.73099858787E-01 1.0000000
|
|
F 1
|
|
1 0.3154700 1.0000000
|
|
|
|
TANTALUM
|
|
S 2
|
|
1 14.400000000 0.99343296745
|
|
2 12.000000000 -1.6510077975
|
|
S 1
|
|
1 5.0701477302 1.0000000
|
|
S 1
|
|
1 0.86033356487 1.0000000
|
|
S 1
|
|
1 0.37158938894 1.0000000
|
|
S 1
|
|
1 0.10745336254 1.0000000
|
|
S 1
|
|
1 0.39142776556E-01 1.0000000
|
|
P 4
|
|
1 7.4188720000 0.26979695152
|
|
2 5.6984100000 -0.46968874449
|
|
3 1.1777211960 0.50905100155
|
|
4 0.54478533555 0.52298161137
|
|
P 1
|
|
1 0.22309270117 1.0000000
|
|
P 1
|
|
1 0.0431000 1.0000000
|
|
D 4
|
|
1 3.9738796278 -0.52799310714E-01
|
|
2 1.4528884813 0.18558319471
|
|
3 0.61042908544 0.42959071631
|
|
4 0.24216276510 0.43497228231503E+00
|
|
D 1
|
|
1 0.87909318337E-01 1.0000000
|
|
F 1
|
|
1 0.3738600 1.0000000
|
|
|
|
TUNGSTEN
|
|
S 2
|
|
1 15.000000000 -0.53315505392
|
|
2 12.000000000 1.0014141748
|
|
S 1
|
|
1 5.2610967725 1.0000000
|
|
S 1
|
|
1 0.92785370307 1.0000000
|
|
S 1
|
|
1 0.40334458241 1.0000000
|
|
S 1
|
|
1 0.11585976646 1.0000000
|
|
S 1
|
|
1 0.41800474073E-01 1.0000000
|
|
P 4
|
|
1 7.2496570000 0.45857265530
|
|
2 6.0848760000 -0.66720686321
|
|
3 1.2523777812 0.52090351989
|
|
4 0.58569208922 0.51885687511
|
|
P 1
|
|
1 0.24106964301 1.0000000
|
|
P 1
|
|
1 0.0403000 1.0000000
|
|
D 4
|
|
1 4.0131231332 -0.63416491808E-01
|
|
2 1.6237452450 0.18452733732
|
|
3 0.69187452392 0.44121676843
|
|
4 0.27865835325 0.43158409241461E+00
|
|
D 1
|
|
1 0.10225296446 1.0000000
|
|
F 1
|
|
1 0.4319900 1.0000000
|
|
|
|
RHENIUM
|
|
S 2
|
|
1 14.781862000 -1.1395193885
|
|
2 12.324075000 1.9371421121
|
|
S 1
|
|
1 5.5098597284 1.0000000
|
|
S 1
|
|
1 0.98874104687 1.0000000
|
|
S 1
|
|
1 0.42833312030 1.0000000
|
|
S 1
|
|
1 0.12296804533 1.0000000
|
|
S 1
|
|
1 0.43949851581E-01 1.0000000
|
|
P 4
|
|
1 7.4040050000 0.54510937865
|
|
2 6.3502060000 -0.76096056536
|
|
3 1.3311713455 0.53252276765
|
|
4 0.62659600547 0.51483045040
|
|
P 1
|
|
1 0.25922718696 1.0000000
|
|
P 1
|
|
1 0.0483000 1.0000000
|
|
D 4
|
|
1 4.0616274916 -0.76667295205E-01
|
|
2 1.8487943286 0.18067495215
|
|
3 0.78702048429 0.45160766937
|
|
4 0.32069843172 0.43261236265745E+00
|
|
D 1
|
|
1 0.11892742980 1.0000000
|
|
F 1
|
|
1 0.4898900 1.0000000
|
|
|
|
OSMIUM
|
|
S 2
|
|
1 15.286736000 -1.0647114485
|
|
2 12.700638000 1.8433193269
|
|
S 1
|
|
1 5.7094832504 1.0000000
|
|
S 1
|
|
1 1.0689228744 1.0000000
|
|
S 1
|
|
1 0.46783543749 1.0000000
|
|
S 1
|
|
1 0.13253456992 1.0000000
|
|
S 1
|
|
1 0.47101982911E-01 1.0000000
|
|
P 4
|
|
1 7.9362790000 0.33899369659
|
|
2 6.3036410000 -0.56379438345
|
|
3 1.4351579676 0.52360040577
|
|
4 0.68442749722 0.52445339821
|
|
P 1
|
|
1 0.28347394974 1.0000000
|
|
P 1
|
|
1 0.0581000 1.0000000
|
|
D 4
|
|
1 3.5808150000 -0.42773932262
|
|
2 3.1961650000 0.44501403992
|
|
3 1.0550226354 0.43689459722
|
|
4 0.41588406618 0.48220605798770E+00
|
|
D 1
|
|
1 0.14653507868 1.0000000
|
|
F 1
|
|
1 0.5506500 1.0000000
|
|
|
|
IRIDIUM
|
|
S 2
|
|
1 15.293709000 -1.6731899791
|
|
2 13.573682000 2.3934378976
|
|
S 1
|
|
1 5.8213436542 1.0000000
|
|
S 1
|
|
1 1.1520364268 1.0000000
|
|
S 1
|
|
1 0.51104895338 1.0000000
|
|
S 1
|
|
1 0.14084043578 1.0000000
|
|
S 1
|
|
1 0.49828673085E-01 1.0000000
|
|
P 4
|
|
1 8.6697960000 0.21469187346391
|
|
2 6.2456140000 -0.44863071815131
|
|
3 1.5657036153 0.50653393256771
|
|
4 0.75577412863 0.54052273352337
|
|
P 1
|
|
1 0.31306011113 1.0000000
|
|
P 1
|
|
1 0.0548000 1.0000000
|
|
D 4
|
|
1 3.6994850000 -0.54840155964653
|
|
2 3.3617430000 0.56835425804006
|
|
3 1.1177053710 0.44304381513032
|
|
4 0.44322534858 0.47078394930144
|
|
D 1
|
|
1 0.15641305125 1.0000000
|
|
F 1
|
|
1 0.6100800 1.0000000
|
|
|
|
PLATINUM
|
|
S 2
|
|
1 16.559563000 -0.53808800717
|
|
2 13.892440000 0.91402161377
|
|
S 1
|
|
1 5.8531044732 1.0000000
|
|
S 1
|
|
1 1.2498640609 1.0000000
|
|
S 1
|
|
1 0.55606439459 1.0000000
|
|
S 1
|
|
1 0.13793093812 1.0000000
|
|
S 1
|
|
1 0.48989034059E-01 1.0000000
|
|
P 4
|
|
1 8.1000000000 0.72955608128
|
|
2 7.2000000000 -0.95441807252
|
|
3 1.5588402917 0.57140490320
|
|
4 0.73230402180 0.49508234268
|
|
P 1
|
|
1 0.30270484669 1.0000000
|
|
P 1
|
|
1 0.50000000000E-01 1.0000000
|
|
D 4
|
|
1 4.6299536825 -0.87774450596E-01
|
|
2 2.1980241252 0.21158360681
|
|
3 0.93629991261 0.46533857641
|
|
4 0.37160028160 0.41129165525
|
|
D 1
|
|
1 0.13155928617 1.0000000
|
|
F 1
|
|
1 0.6681300 1.0000000
|
|
|
|
GOLD
|
|
S 2
|
|
1 20.115299000 -0.15910719389
|
|
2 12.193477000 0.79105526778
|
|
S 1
|
|
1 6.0735294368 1.0000000
|
|
S 1
|
|
1 1.3174451569 1.0000000
|
|
S 1
|
|
1 0.58596768244 1.0000000
|
|
S 1
|
|
1 0.13875427354 1.0000000
|
|
S 1
|
|
1 0.48876985527E-01 1.0000000
|
|
P 4
|
|
1 8.6096650000 0.50053018599
|
|
2 7.3353260000 -0.72681584494
|
|
3 1.6575296365 0.57315511417
|
|
4 0.78159310216 0.49579068859
|
|
P 1
|
|
1 0.32384840661 1.0000000
|
|
P 1
|
|
1 0.0540000 1.0000000
|
|
D 4
|
|
1 4.1439490000 -0.37099566643
|
|
2 3.5682570000 0.40197233762
|
|
3 1.2345757130 0.46001988624
|
|
4 0.48190232338 0.46152130957882E+00
|
|
D 1
|
|
1 0.16490636769 1.0000000
|
|
F 1
|
|
1 0.7248200 1.0000000
|
|
|
|
MERCURY
|
|
S 2
|
|
1 26.842049000 -0.26845096483E-01
|
|
2 10.320909000 0.81771278143
|
|
S 1
|
|
1 6.3656242291 1.0000000
|
|
S 1
|
|
1 1.3898932095 1.0000000
|
|
S 1
|
|
1 0.63706742699 1.0000000
|
|
S 1
|
|
1 0.16047725098 1.0000000
|
|
S 1
|
|
1 0.56410423453E-01 1.0000000
|
|
P 4
|
|
1 9.7729900000 0.21210940502
|
|
2 7.1690950000 -0.44026342153
|
|
3 1.7559567931 0.58406314464
|
|
4 0.83145670425 0.49359746203
|
|
P 1
|
|
1 0.34494917659 1.0000000
|
|
P 1
|
|
1 0.07000000000 1.0000000
|
|
D 4
|
|
1 4.2800000000 -0.32033414305491
|
|
2 3.4800000000 0.37748470203231
|
|
3 1.2535869926 0.48342275878173
|
|
4 0.50841366863 0.43493523158359
|
|
D 1
|
|
1 0.18501599388 1.0000000
|
|
F 1
|
|
1 0.7956900 1.0000000
|
|
|
|
THALLIUM
|
|
S 6
|
|
1 45.356924655 0.50938157397E-02
|
|
2 20.278843336 -0.14805704314
|
|
3 14.420612394 0.36768453564
|
|
4 6.2161909754 -0.66820394623
|
|
5 1.5002511178 0.96232806743
|
|
6 0.76330879305 0.33175999361
|
|
S 2
|
|
1 7.8193195283 -0.18828631537E-01
|
|
2 1.3176904042 0.32093431467
|
|
S 1
|
|
1 0.17643545481 1.0000000
|
|
S 1
|
|
1 0.65296835238E-01 1.0000000
|
|
P 4
|
|
1 9.0323058024 0.22738839085
|
|
2 7.5356419671 -0.35117975889
|
|
3 1.0521421998 0.25690085604
|
|
4 0.50303932656 0.84549942764E-01
|
|
P 1
|
|
1 2.0067660913 1.0000000
|
|
P 1
|
|
1 0.16675605056 1.0000000
|
|
P 1
|
|
1 0.48596401464E-01 1.0000000
|
|
D 5
|
|
1 9.4421940760 0.58250776986E-01
|
|
2 7.4410003381 -0.11789199301
|
|
3 1.9831617772 0.34232057636
|
|
4 0.91671748567 0.47557282350
|
|
5 0.39647207885 0.30528029435
|
|
D 1
|
|
1 0.15500000000 1.0000000
|
|
|
|
LEAD
|
|
S 6
|
|
1 55.727520333 0.29681153058E-02
|
|
2 20.302912827 -0.14352634362
|
|
3 14.558628750 0.37554188507
|
|
4 6.5370530973 -0.67253099800
|
|
5 1.5933900686 0.95887533909
|
|
6 0.83051419711 0.32593632538
|
|
S 2
|
|
1 8.0719473648 -0.20412061217E-01
|
|
2 1.4165737490 0.32865829049
|
|
S 1
|
|
1 0.20418933370 1.0000000
|
|
S 1
|
|
1 0.77159007761E-01 1.0000000
|
|
P 4
|
|
1 9.5531412199 0.20542943990
|
|
2 7.5327685129 -0.36407590058
|
|
3 1.1185539567 0.32217481686
|
|
4 0.53739855255 0.96677743015E-01
|
|
P 1
|
|
1 2.1359869828 1.0000000
|
|
P 1
|
|
1 0.20027494801 1.0000000
|
|
P 1
|
|
1 0.63408011513E-01 1.0000000
|
|
D 5
|
|
1 13.494505735 0.11571042371E-01
|
|
2 7.0609770411 -0.66746645076E-01
|
|
3 2.1581835375 0.33978760942
|
|
4 1.0148541418 0.48523039273
|
|
5 0.44632672920 0.29682924018
|
|
D 1
|
|
1 0.17500000000 1.0000000
|
|
|
|
BISMUTH
|
|
S 6
|
|
1 175.19632102 0.80278879028E-03
|
|
2 19.820147783 -0.14624461250
|
|
3 14.960110102 0.37435719885
|
|
4 6.7065785571 -0.68476017748
|
|
5 1.7391967524 0.90967322081
|
|
6 0.94504730591 0.38695797807
|
|
S 2
|
|
1 8.4636832909 -0.20037183144E-01
|
|
2 1.5317838545 0.31054408682
|
|
S 1
|
|
1 0.23405391503 1.0000000
|
|
S 1
|
|
1 0.90268814613E-01 1.0000000
|
|
P 4
|
|
1 10.672046293 0.14391258793
|
|
2 7.1992185915 -0.37994608603
|
|
3 1.5359697528 0.53268032065
|
|
4 0.72201275727 0.23037698678
|
|
P 1
|
|
1 2.8508661858 1.0000000
|
|
P 1
|
|
1 0.23769418731 1.0000000
|
|
P 1
|
|
1 0.78768140453E-01 1.0000000
|
|
D 5
|
|
1 15.834273510 0.85062993231E-02
|
|
2 7.0956896087 -0.65954380016E-01
|
|
3 2.3363137007 0.33707163406
|
|
4 1.1208861366 0.49128719933
|
|
5 0.50309487376 0.29095930644
|
|
D 1
|
|
1 0.20000000000 1.0000000
|
|
|
|
POLONIUM
|
|
S 6
|
|
1 278.13783916 0.91690497839E-03
|
|
2 19.659291105 -0.14713009283
|
|
3 15.016229647 0.38790413631
|
|
4 7.1149978720 -0.67059966298
|
|
5 1.7879214122 0.91212928327
|
|
6 0.94021655206 0.29153755200
|
|
S 2
|
|
1 8.7584161749 -0.21561417525E-01
|
|
2 1.6503945866 0.31638990001
|
|
S 1
|
|
1 0.26329582133 1.0000000
|
|
S 1
|
|
1 0.10190654304 1.0000000
|
|
P 4
|
|
1 10.445945973 0.23631841405
|
|
2 8.0293101888 -0.45017818996
|
|
3 1.3588798023 0.44160334658
|
|
4 0.66829182929 0.14575285544
|
|
P 1
|
|
1 2.4460635387 1.0000000
|
|
P 1
|
|
1 0.27242942777 1.0000000
|
|
P 1
|
|
1 0.88796031338E-01 1.0000000
|
|
D 5
|
|
1 18.292670150 0.72030963652E-02
|
|
2 7.1695578539 -0.66160544754E-01
|
|
3 2.5029225180 0.34363449378
|
|
4 1.2115945443 0.50529101033
|
|
5 0.54713334240 0.28301155453
|
|
D 1
|
|
1 0.21500000000 1.0000000
|
|
|
|
ASTATINE
|
|
S 6
|
|
1 303.23376176 0.63504969788E-03
|
|
2 20.289449240 -0.13823165350
|
|
3 15.383783126 0.38333193283
|
|
4 7.4702184232 -0.66837560338
|
|
5 1.8731608346 0.91545877992
|
|
6 0.97426847543 0.25559567998
|
|
S 2
|
|
1 8.9610112498 -0.23092977605E-01
|
|
2 1.7804284294 0.31690635939
|
|
S 1
|
|
1 0.29269461143 1.0000000
|
|
S 1
|
|
1 0.11395353119 1.0000000
|
|
P 4
|
|
1 10.722023134 0.26194870008
|
|
2 8.4823338656 -0.46607228264
|
|
3 1.3474291294 0.42119853309
|
|
4 0.62824011467 0.10643224457
|
|
P 1
|
|
1 2.4814896839 1.0000000
|
|
P 1
|
|
1 0.31036518470 1.0000000
|
|
P 1
|
|
1 0.10144862043 1.0000000
|
|
D 5
|
|
1 20.799819604 0.65227965381E-02
|
|
2 7.1664616770 -0.67780885217E-01
|
|
3 2.6934397048 0.33954991335
|
|
4 1.3175112423 0.50899559178
|
|
5 0.59997066293 0.27526771759
|
|
D 1
|
|
1 0.23500000000 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
|