mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 13:53:29 +01:00
1286 lines
38 KiB
Plaintext
1286 lines
38 KiB
Plaintext
HYDROGEN
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S 3
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1 0.615934E+05 0.244505E-02
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2 0.307967E+04 0.627056E-01
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3 0.461515E+03 0.500000E+00
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S 3
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1 0.105058E+03 0.328934E-01
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2 0.297641E+02 0.138730E+00
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3 0.971826E+01 0.500000E+00
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S 1
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1 0.351795E+01 1.0000000
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S 1
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1 0.137696E+01 1.0000000
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S 1
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1 0.568306E+00 1.0000000
|
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S 1
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1 0.243407E+00 1.0000000
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S 1
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1 0.105053E+00 1.0000000
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S 1
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1 0.441983E-01 1.0000000
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|
S 1
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|
1 0.17131E-01 1.0000000
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P 1
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1 0.1800000000E+03 1.0000000
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P 1
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|
1 0.3000000000E+02 1.0000000
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P 1
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|
1 0.6600000000E+01 1.0000000
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|
P 1
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1 0.2100000000E+01 1.0000000
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|
P 1
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|
1 0.9500000000E+00 1.0000000
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|
P 1
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|
1 0.4500000000E+00 1.0000000
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P 1
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|
1 0.1500000000E+00 1.0000000
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P 1
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1 0.51393E-01 1.0000000
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D 1
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1 0.1260000000E+02 1.0000000
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D 1
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1 0.2100000000E+01 1.0000000
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D 1
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1 0.7000000000E+00 1.0000000
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D 1
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1 0.3000000000E+00 1.0000000
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D 1
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1 0.68524E-01 1.0000000
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F 1
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1 0.2500000000E+01 1.0000000
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F 1
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1 0.9000000000E+00 1.0000000
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F 1
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1 0.85656E-01 1.0000000
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G 1
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1 0.3200000000E+01 1.0000000
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G 1
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1 0.10279E+00 1.0000000
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HELIUM
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S 3
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1 0.175603E+06 0.244582E-02
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2 0.878017E+04 0.627346E-01
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3 0.131561E+04 0.500000E+00
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S 3
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1 0.299460E+03 0.335759E-01
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2 0.848329E+02 0.140783E+00
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3 0.276909E+02 0.500000E+00
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S 1
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1 0.100079E+02 1.0000000
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S 1
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1 0.389242E+01 1.0000000
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S 1
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1 0.158195E+01 1.0000000
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S 1
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1 0.656977E+00 1.0000000
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S 1
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1 0.264585E+00 1.0000000
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S 1
|
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1 0.105847E+00 1.0000000
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S 1
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1 0.39200E-01 1.0000000
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P 1
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1 0.2430000000E+03 1.0000000
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P 1
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1 0.4050000000E+02 1.0000000
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P 1
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|
1 0.8900000000E+01 1.0000000
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P 1
|
|
1 0.2850000000E+01 1.0000000
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P 1
|
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1 0.1300000000E+01 1.0000000
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P 1
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1 0.6000000000E+00 1.0000000
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P 1
|
|
1 0.2000000000E+00 1.0000000
|
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P 1
|
|
1 0.11760E+00 1.0000000
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D 1
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1 0.2220000000E+02 1.0000000
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D 1
|
|
1 0.3700000000E+01 1.0000000
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D 1
|
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1 0.1200000000E+01 1.0000000
|
|
D 1
|
|
1 0.5000000000E+00 1.0000000
|
|
D 1
|
|
1 0.15680E+00 1.0000000
|
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F 1
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|
1 0.4100000000E+01 1.0000000
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F 1
|
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1 0.1500000000E+01 1.0000000
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F 1
|
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1 0.19600E+00 1.0000000
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G 1
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1 0.4650000000E+01 1.0000000
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G 1
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1 0.23520E+00 1.0000000
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BORON
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S 6
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1 0.148500E+08 0.299259E-04
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2 0.742499E+06 0.769780E-03
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3 0.110930E+06 0.615895E-02
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4 0.252031E+05 0.323803E-01
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5 0.712926E+04 0.137021E+00
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6 0.232470E+04 0.500000E+00
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S 4
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1 0.839052E+03 0.250814E-01
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2 0.327789E+03 0.738910E-01
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3 0.136722E+03 0.204160E+00
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4 0.602936E+02 0.500000E+00
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S 1
|
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1 0.277313E+02 1.0000000
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S 1
|
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1 0.129925E+02 1.0000000
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S 1
|
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1 0.625514E+01 1.0000000
|
|
S 1
|
|
1 0.314720E+01 1.0000000
|
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S 1
|
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1 0.156268E+01 1.0000000
|
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S 1
|
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1 0.740663E+00 1.0000000
|
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S 1
|
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1 0.312902E+00 1.0000000
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S 1
|
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1 0.131424E+00 1.0000000
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S 1
|
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1 0.547071E-01 1.0000000
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S 1
|
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1 0.21030E-01 1.0000000
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P 3
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1 0.148096E+04 0.272442E-02
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2 0.227840E+03 0.565607E-01
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3 0.539221E+02 0.500000E+00
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P 2
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1 0.170481E+02 0.121500E+00
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2 0.600196E+01 0.500000E+00
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P 1
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1 0.260659E+01 1.0000000
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P 1
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1 0.119622E+01 1.0000000
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P 1
|
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1 0.569666E+00 1.0000000
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P 1
|
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1 0.273773E+00 1.0000000
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P 1
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1 0.128802E+00 1.0000000
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P 1
|
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1 0.596530E-01 1.0000000
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P 1
|
|
1 0.261899E-01 1.0000000
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P 1
|
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1 0.10570E-01 1.0000000
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D 1
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1 0.7950000000E+02 1.0000000
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D 1
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1 0.5300000000E+01 1.0000000
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D 1
|
|
1 0.1900000000E+01 1.0000000
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D 1
|
|
1 0.7500000000E+00 1.0000000
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|
D 1
|
|
1 0.3500000000E+00 1.0000000
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|
D 1
|
|
1 0.1600000000E+00 1.0000000
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D 1
|
|
1 0.6000000000E-01 1.0000000
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|
D 1
|
|
1 0.30000E-01 1.0000000
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F 1
|
|
1 0.6650000000E+01 1.0000000
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F 1
|
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1 0.1900000000E+01 1.0000000
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F 1
|
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1 0.8000000000E+00 1.0000000
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F 1
|
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1 0.3500000000E+00 1.0000000
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|
F 1
|
|
1 0.42280E-01 1.0000000
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G 1
|
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1 0.1650000000E+01 1.0000000
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G 1
|
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1 0.7000000000E+00 1.0000000
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|
G 1
|
|
1 0.52850E-01 1.0000000
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H 1
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1 0.1750000000E+01 1.0000000
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H 1
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1 0.63410E-01 1.0000000
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|
|
CARBON
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S 6
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1 0.105555E+08 0.303871E-04
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2 0.527777E+06 0.778910E-03
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3 0.791055E+05 0.621085E-02
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4 0.180064E+05 0.325489E-01
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5 0.510083E+04 0.137595E+00
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6 0.166465E+04 0.500000E+00
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S 4
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1 0.601664E+03 0.263618E-01
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2 0.235397E+03 0.782935E-01
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3 0.982634E+02 0.206827E+00
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4 0.432689E+02 0.500000E+00
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S 1
|
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1 0.198583E+02 1.0000000
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S 1
|
|
1 0.956918E+01 1.0000000
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|
S 1
|
|
1 0.493732E+01 1.0000000
|
|
S 1
|
|
1 0.266874E+01 1.0000000
|
|
S 1
|
|
1 0.146739E+01 1.0000000
|
|
S 1
|
|
1 0.638634E+00 1.0000000
|
|
S 1
|
|
1 0.302399E+00 1.0000000
|
|
S 1
|
|
1 0.141161E+00 1.0000000
|
|
S 1
|
|
1 0.637490E-01 1.0000000
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S 1
|
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1 0.26452E-01 1.0000000
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P 3
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1 0.248433E+04 0.270041E-02
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2 0.382205E+03 0.561363E-01
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3 0.904894E+02 0.500000E+00
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P 2
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1 0.288706E+02 0.121204E+00
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2 0.103854E+02 0.500000E+00
|
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P 1
|
|
1 0.449718E+01 1.0000000
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|
P 1
|
|
1 0.202740E+01 1.0000000
|
|
P 1
|
|
1 0.951542E+00 1.0000000
|
|
P 1
|
|
1 0.448145E+00 1.0000000
|
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P 1
|
|
1 0.207211E+00 1.0000000
|
|
P 1
|
|
1 0.948698E-01 1.0000000
|
|
P 1
|
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1 0.408427E-01 1.0000000
|
|
P 1
|
|
1 0.16207E-01 1.0000000
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D 1
|
|
1 0.1260000000E+03 1.0000000
|
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D 1
|
|
1 0.8400000000E+01 1.0000000
|
|
D 1
|
|
1 0.3000000000E+01 1.0000000
|
|
D 1
|
|
1 0.1200000000E+01 1.0000000
|
|
D 1
|
|
1 0.5500000000E+00 1.0000000
|
|
D 1
|
|
1 0.2500000000E+00 1.0000000
|
|
D 1
|
|
1 0.1000000000E+00 1.0000000
|
|
D 1
|
|
1 0.48622E-01 1.0000000
|
|
F 1
|
|
1 0.7350000000E+01 1.0000000
|
|
F 1
|
|
1 0.2100000000E+01 1.0000000
|
|
F 1
|
|
1 0.9000000000E+00 1.0000000
|
|
F 1
|
|
1 0.4000000000E+00 1.0000000
|
|
F 1
|
|
1 0.64830E-01 1.0000000
|
|
G 1
|
|
1 0.2100000000E+01 1.0000000
|
|
G 1
|
|
1 0.9000000000E+00 1.0000000
|
|
G 1
|
|
1 0.81037E-01 1.0000000
|
|
H 1
|
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1 0.1850000000E+01 1.0000000
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|
H 1
|
|
1 0.97244E-01 1.0000000
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|
|
|
NITROGEN
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S 6
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1 0.178952E+08 0.309822E-04
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2 0.894758E+06 0.791111E-03
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3 0.134825E+06 0.626273E-02
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4 0.308080E+05 0.326826E-01
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5 0.875150E+04 0.137742E+00
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6 0.286197E+04 0.500000E+00
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S 4
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1 0.103532E+04 0.249431E-01
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2 0.404732E+03 0.745872E-01
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3 0.168327E+03 0.201177E+00
|
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4 0.736950E+02 0.500000E+00
|
|
S 1
|
|
1 0.337526E+02 1.0000000
|
|
S 1
|
|
1 0.161568E+02 1.0000000
|
|
S 1
|
|
1 0.796876E+01 1.0000000
|
|
S 1
|
|
1 0.395209E+01 1.0000000
|
|
S 1
|
|
1 0.194542E+01 1.0000000
|
|
S 1
|
|
1 0.929289E+00 1.0000000
|
|
S 1
|
|
1 0.440853E+00 1.0000000
|
|
S 1
|
|
1 0.203400E+00 1.0000000
|
|
S 1
|
|
1 0.912259E-01 1.0000000
|
|
S 1
|
|
1 0.37542E-01 1.0000000
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P 3
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1 0.368047E+04 0.269331E-02
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2 0.566226E+03 0.557274E-01
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3 0.134104E+03 0.500000E+00
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P 2
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1 0.430132E+02 0.118406E+00
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2 0.156118E+02 0.500000E+00
|
|
P 1
|
|
1 0.664271E+01 1.0000000
|
|
P 1
|
|
1 0.297484E+01 1.0000000
|
|
P 1
|
|
1 0.138849E+01 1.0000000
|
|
P 1
|
|
1 0.650119E+00 1.0000000
|
|
P 1
|
|
1 0.300281E+00 1.0000000
|
|
P 1
|
|
1 0.136198E+00 1.0000000
|
|
P 1
|
|
1 0.578450E-01 1.0000000
|
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P 1
|
|
1 0.22684E-01 1.0000000
|
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D 1
|
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1 0.1920000000E+03 1.0000000
|
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D 1
|
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1 0.1280000000E+02 1.0000000
|
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D 1
|
|
1 0.4400000000E+01 1.0000000
|
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D 1
|
|
1 0.1750000000E+01 1.0000000
|
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D 1
|
|
1 0.8000000000E+00 1.0000000
|
|
D 1
|
|
1 0.3700000000E+00 1.0000000
|
|
D 1
|
|
1 0.1500000000E+00 1.0000000
|
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D 1
|
|
1 0.68053E-01 1.0000000
|
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F 1
|
|
1 0.8050000000E+01 1.0000000
|
|
F 1
|
|
1 0.2300000000E+01 1.0000000
|
|
F 1
|
|
1 0.1000000000E+01 1.0000000
|
|
F 1
|
|
1 0.4500000000E+00 1.0000000
|
|
F 1
|
|
1 0.90737E-01 1.0000000
|
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G 1
|
|
1 0.2550000000E+01 1.0000000
|
|
G 1
|
|
1 0.1100000000E+01 1.0000000
|
|
G 1
|
|
1 0.11342E+00 1.0000000
|
|
H 1
|
|
1 0.1950000000E+01 1.0000000
|
|
H 1
|
|
1 0.13611E+00 1.0000000
|
|
|
|
OXYGEN
|
|
S 6
|
|
1 0.251945E+08 0.310467E-04
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2 0.125972E+07 0.791480E-03
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3 0.190112E+06 0.625795E-02
|
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4 0.434490E+05 0.326529E-01
|
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5 0.123423E+05 0.137695E+00
|
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6 0.403498E+04 0.500000E+00
|
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S 4
|
|
1 0.145968E+04 0.248336E-01
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2 0.570656E+03 0.740005E-01
|
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3 0.237504E+03 0.200929E+00
|
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4 0.104112E+03 0.500000E+00
|
|
S 1
|
|
1 0.475812E+02 1.0000000
|
|
S 1
|
|
1 0.225461E+02 1.0000000
|
|
S 1
|
|
1 0.110926E+02 1.0000000
|
|
S 1
|
|
1 0.554090E+01 1.0000000
|
|
S 1
|
|
1 0.277940E+01 1.0000000
|
|
S 1
|
|
1 0.128368E+01 1.0000000
|
|
S 1
|
|
1 0.596489E+00 1.0000000
|
|
S 1
|
|
1 0.270565E+00 1.0000000
|
|
S 1
|
|
1 0.120280E+00 1.0000000
|
|
S 1
|
|
1 0.49094E-01 1.0000000
|
|
P 3
|
|
1 0.460594E+04 0.269912E-02
|
|
2 0.708607E+03 0.556313E-01
|
|
3 0.167862E+03 0.500000E+00
|
|
P 2
|
|
1 0.539666E+02 0.120106E+00
|
|
2 0.198074E+02 0.500000E+00
|
|
P 1
|
|
1 0.838324E+01 1.0000000
|
|
P 1
|
|
1 0.374473E+01 1.0000000
|
|
P 1
|
|
1 0.173216E+01 1.0000000
|
|
P 1
|
|
1 0.799773E+00 1.0000000
|
|
P 1
|
|
1 0.363229E+00 1.0000000
|
|
P 1
|
|
1 0.159633E+00 1.0000000
|
|
P 1
|
|
1 0.656642E-01 1.0000000
|
|
P 1
|
|
1 0.24967E-01 1.0000000
|
|
D 1
|
|
1 0.2730000000E+03 1.0000000
|
|
D 1
|
|
1 0.1820000000E+02 1.0000000
|
|
D 1
|
|
1 0.6000000000E+01 1.0000000
|
|
D 1
|
|
1 0.2400000000E+01 1.0000000
|
|
D 1
|
|
1 0.1100000000E+01 1.0000000
|
|
D 1
|
|
1 0.5000000000E+00 1.0000000
|
|
D 1
|
|
1 0.2000000000E+00 1.0000000
|
|
D 1
|
|
1 0.74902E-01 1.0000000
|
|
F 1
|
|
1 0.9100000000E+01 1.0000000
|
|
F 1
|
|
1 0.2600000000E+01 1.0000000
|
|
F 1
|
|
1 0.1150000000E+01 1.0000000
|
|
F 1
|
|
1 0.5000000000E+00 1.0000000
|
|
F 1
|
|
1 0.99870E-01 1.0000000
|
|
G 1
|
|
1 0.3050000000E+01 1.0000000
|
|
G 1
|
|
1 0.1300000000E+01 1.0000000
|
|
G 1
|
|
1 0.12484E+00 1.0000000
|
|
H 1
|
|
1 0.2050000000E+01 1.0000000
|
|
H 1
|
|
1 0.14980E+00 1.0000000
|
|
|
|
FLUORINE
|
|
S 6
|
|
1 0.371204E+08 0.311126E-04
|
|
2 0.185602E+07 0.793591E-03
|
|
3 0.280068E+06 0.627003E-02
|
|
4 0.640777E+05 0.326671E-01
|
|
5 0.182157E+05 0.137674E+00
|
|
6 0.595779E+04 0.500000E+00
|
|
S 4
|
|
1 0.215503E+04 0.240745E-01
|
|
2 0.841957E+03 0.719789E-01
|
|
3 0.349819E+03 0.197204E+00
|
|
4 0.152788E+03 0.500000E+00
|
|
S 1
|
|
1 0.693672E+02 1.0000000
|
|
S 1
|
|
1 0.325737E+02 1.0000000
|
|
S 1
|
|
1 0.158890E+02 1.0000000
|
|
S 1
|
|
1 0.786514E+01 1.0000000
|
|
S 1
|
|
1 0.391988E+01 1.0000000
|
|
S 1
|
|
1 0.178612E+01 1.0000000
|
|
S 1
|
|
1 0.820653E+00 1.0000000
|
|
S 1
|
|
1 0.369371E+00 1.0000000
|
|
S 1
|
|
1 0.161976E+00 1.0000000
|
|
S 1
|
|
1 0.65313E-01 1.0000000
|
|
P 3
|
|
1 0.596629E+04 0.269363E-02
|
|
2 0.917891E+03 0.554352E-01
|
|
3 0.217410E+03 0.500000E+00
|
|
P 2
|
|
1 0.699386E+02 0.120632E+00
|
|
2 0.258308E+02 0.500000E+00
|
|
P 1
|
|
1 0.109692E+02 1.0000000
|
|
P 1
|
|
1 0.492146E+01 1.0000000
|
|
P 1
|
|
1 0.228390E+01 1.0000000
|
|
P 1
|
|
1 0.105789E+01 1.0000000
|
|
P 1
|
|
1 0.481348E+00 1.0000000
|
|
P 1
|
|
1 0.209021E+00 1.0000000
|
|
P 1
|
|
1 0.855558E-01 1.0000000
|
|
P 1
|
|
1 0.32408E-01 1.0000000
|
|
D 1
|
|
1 0.3825000000E+03 1.0000000
|
|
D 1
|
|
1 0.2550000000E+02 1.0000000
|
|
D 1
|
|
1 0.8000000000E+01 1.0000000
|
|
D 1
|
|
1 0.3200000000E+01 1.0000000
|
|
D 1
|
|
1 0.1450000000E+01 1.0000000
|
|
D 1
|
|
1 0.6500000000E+00 1.0000000
|
|
D 1
|
|
1 0.2500000000E+00 1.0000000
|
|
D 1
|
|
1 0.97223E-01 1.0000000
|
|
F 1
|
|
1 0.1085000000E+02 1.0000000
|
|
F 1
|
|
1 0.3100000000E+01 1.0000000
|
|
F 1
|
|
1 0.1350000000E+01 1.0000000
|
|
F 1
|
|
1 0.6000000000E+00 1.0000000
|
|
F 1
|
|
1 0.12963E+00 1.0000000
|
|
G 1
|
|
1 0.3600000000E+01 1.0000000
|
|
G 1
|
|
1 0.1550000000E+01 1.0000000
|
|
G 1
|
|
1 0.16204E+00 1.0000000
|
|
H 1
|
|
1 0.2150000000E+01 1.0000000
|
|
H 1
|
|
1 0.19445E+00 1.0000000
|
|
|
|
NEON
|
|
S 6
|
|
1 0.504516E+08 0.300832E-04
|
|
2 0.252258E+07 0.772078E-03
|
|
3 0.377056E+06 0.617695E-02
|
|
4 0.857126E+05 0.324144E-01
|
|
5 0.242614E+05 0.137227E+00
|
|
6 0.791171E+04 0.500000E+00
|
|
S 4
|
|
1 0.285550E+04 0.237474E-01
|
|
2 0.111359E+04 0.711380E-01
|
|
3 0.461889E+03 0.195980E+00
|
|
4 0.201352E+03 0.500000E+00
|
|
S 1
|
|
1 0.911985E+02 1.0000000
|
|
S 1
|
|
1 0.426796E+02 1.0000000
|
|
S 1
|
|
1 0.207422E+02 1.0000000
|
|
S 1
|
|
1 0.102487E+02 1.0000000
|
|
S 1
|
|
1 0.510128E+01 1.0000000
|
|
S 1
|
|
1 0.230307E+01 1.0000000
|
|
S 1
|
|
1 0.105306E+01 1.0000000
|
|
S 1
|
|
1 0.472224E+00 1.0000000
|
|
S 1
|
|
1 0.204663E+00 1.0000000
|
|
S 1
|
|
1 0.81640E-01 1.0000000
|
|
P 3
|
|
1 0.760436E+04 0.268978E-02
|
|
2 0.116990E+04 0.552804E-01
|
|
3 0.277106E+03 0.500000E+00
|
|
P 2
|
|
1 0.892636E+02 0.120096E+00
|
|
2 0.331003E+02 0.500000E+00
|
|
P 1
|
|
1 0.140312E+02 1.0000000
|
|
P 1
|
|
1 0.629854E+01 1.0000000
|
|
P 1
|
|
1 0.292341E+01 1.0000000
|
|
P 1
|
|
1 0.135367E+01 1.0000000
|
|
P 1
|
|
1 0.613615E+00 1.0000000
|
|
P 1
|
|
1 0.263617E+00 1.0000000
|
|
P 1
|
|
1 0.107546E+00 1.0000000
|
|
P 1
|
|
1 0.40570E-01 1.0000000
|
|
D 1
|
|
1 0.4800000000E+03 1.0000000
|
|
D 1
|
|
1 0.3200000000E+02 1.0000000
|
|
D 1
|
|
1 0.1010000000E+02 1.0000000
|
|
D 1
|
|
1 0.4000000000E+01 1.0000000
|
|
D 1
|
|
1 0.1850000000E+01 1.0000000
|
|
D 1
|
|
1 0.8000000000E+00 1.0000000
|
|
D 1
|
|
1 0.3000000000E+00 1.0000000
|
|
D 1
|
|
1 0.12710E+00 1.0000000
|
|
F 1
|
|
1 0.1260000000E+02 1.0000000
|
|
F 1
|
|
1 0.3600000000E+01 1.0000000
|
|
F 1
|
|
1 0.1550000000E+01 1.0000000
|
|
F 1
|
|
1 0.7000000000E+00 1.0000000
|
|
F 1
|
|
1 0.16230E+00 1.0000000
|
|
G 1
|
|
1 0.4200000000E+01 1.0000000
|
|
G 1
|
|
1 0.1800000000E+01 1.0000000
|
|
G 1
|
|
1 0.20280E+00 1.0000000
|
|
H 1
|
|
1 0.2250000000E+01 1.0000000
|
|
H 1
|
|
1 0.24340E+00 1.0000000
|
|
|
|
ALUMINUM
|
|
S 9
|
|
1 0.769034E+08 0.115467E-05
|
|
2 0.384517E+07 0.295061E-04
|
|
3 0.575264E+06 0.235790E-03
|
|
4 0.130858E+06 0.123665E-02
|
|
5 0.370630E+05 0.522832E-02
|
|
6 0.120944E+05 0.190384E-01
|
|
7 0.436684E+04 0.620577E-01
|
|
8 0.170362E+04 0.184193E+00
|
|
9 0.707134E+03 0.500000E+00
|
|
S 4
|
|
1 0.308972E+03 0.703382E-01
|
|
2 0.140711E+03 0.161294E+00
|
|
3 0.659171E+02 0.321616E+00
|
|
4 0.317297E+02 0.500000E+00
|
|
S 1
|
|
1 0.155869E+02 1.0000000
|
|
S 1
|
|
1 0.763820E+01 1.0000000
|
|
S 1
|
|
1 0.354545E+01 1.0000000
|
|
S 1
|
|
1 0.166791E+01 1.0000000
|
|
S 1
|
|
1 0.769391E+00 1.0000000
|
|
S 1
|
|
1 0.279175E+00 1.0000000
|
|
S 1
|
|
1 0.140164E+00 1.0000000
|
|
S 1
|
|
1 0.703358E-01 1.0000000
|
|
S 1
|
|
1 0.336599E-01 1.0000000
|
|
S 1
|
|
1 0.14700E-01 1.0000000
|
|
P 6
|
|
1 0.369672E+05 0.274529E-04
|
|
2 0.568726E+04 0.553742E-03
|
|
3 0.134521E+04 0.521503E-02
|
|
4 0.436378E+03 0.298446E-01
|
|
5 0.165446E+03 0.137596E+00
|
|
6 0.686188E+02 0.500000E+00
|
|
P 4
|
|
1 0.318753E+02 0.720616E-01
|
|
2 0.154322E+02 0.178966E+00
|
|
3 0.775703E+01 0.323097E+00
|
|
4 0.392565E+01 0.500000E+00
|
|
P 1
|
|
1 0.197644E+01 1.0000000
|
|
P 1
|
|
1 0.999178E+00 1.0000000
|
|
P 1
|
|
1 0.506297E+00 1.0000000
|
|
P 1
|
|
1 0.258474E+00 1.0000000
|
|
P 1
|
|
1 0.115664E+00 1.0000000
|
|
P 1
|
|
1 0.510481E-01 1.0000000
|
|
P 1
|
|
1 0.212002E-01 1.0000000
|
|
P 1
|
|
1 0.81290E-02 1.0000000
|
|
D 1
|
|
1 0.9795500000E+02 1.0000000
|
|
D 1
|
|
1 0.1781000000E+02 1.0000000
|
|
D 1
|
|
1 0.5090000000E+01 1.0000000
|
|
D 1
|
|
1 0.1750000000E+01 1.0000000
|
|
D 1
|
|
1 0.6300000000E+00 1.0000000
|
|
D 1
|
|
1 0.2700000000E+00 1.0000000
|
|
D 1
|
|
1 0.1100000000E+00 1.0000000
|
|
D 1
|
|
1 0.24390E-01 1.0000000
|
|
F 1
|
|
1 0.1953000000E+02 1.0000000
|
|
F 1
|
|
1 0.2170000000E+01 1.0000000
|
|
F 1
|
|
1 0.5100000000E+00 1.0000000
|
|
F 1
|
|
1 0.2100000000E+00 1.0000000
|
|
F 1
|
|
1 0.32520E-01 1.0000000
|
|
G 1
|
|
1 0.1140000000E+01 1.0000000
|
|
G 1
|
|
1 0.3800000000E+00 1.0000000
|
|
G 1
|
|
1 0.40640E-01 1.0000000
|
|
H 1
|
|
1 0.6900000000E+00 1.0000000
|
|
H 1
|
|
1 0.48770E-01 1.0000000
|
|
|
|
SILICON
|
|
S 9
|
|
1 0.923166E+08 0.138015E-05
|
|
2 0.461583E+07 0.345646E-04
|
|
3 0.719013E+06 0.259865E-03
|
|
4 0.169992E+06 0.130031E-02
|
|
5 0.493998E+05 0.536488E-02
|
|
6 0.163852E+05 0.192241E-01
|
|
7 0.598542E+04 0.619982E-01
|
|
8 0.235411E+04 0.183173E+00
|
|
9 0.981401E+03 0.500000E+00
|
|
S 4
|
|
1 0.428896E+03 0.625898E-01
|
|
2 0.194540E+03 0.146729E+00
|
|
3 0.907770E+02 0.304874E+00
|
|
4 0.437154E+02 0.500000E+00
|
|
S 1
|
|
1 0.214905E+02 1.0000000
|
|
S 1
|
|
1 0.106688E+02 1.0000000
|
|
S 1
|
|
1 0.488815E+01 1.0000000
|
|
S 1
|
|
1 0.233610E+01 1.0000000
|
|
S 1
|
|
1 0.109667E+01 1.0000000
|
|
S 1
|
|
1 0.423124E+00 1.0000000
|
|
S 1
|
|
1 0.242757E+00 1.0000000
|
|
S 1
|
|
1 0.117035E+00 1.0000000
|
|
S 1
|
|
1 0.528607E-01 1.0000000
|
|
S 1
|
|
1 0.21897E-01 1.0000000
|
|
P 6
|
|
1 0.419464E+05 0.270560E-04
|
|
2 0.645329E+04 0.542091E-03
|
|
3 0.153395E+04 0.506328E-02
|
|
4 0.498384E+03 0.289780E-01
|
|
5 0.188978E+03 0.133728E+00
|
|
6 0.778870E+02 0.500000E+00
|
|
P 4
|
|
1 0.355138E+02 0.783360E-01
|
|
2 0.170159E+02 0.193873E+00
|
|
3 0.849770E+01 0.338624E+00
|
|
4 0.435444E+01 0.500000E+00
|
|
P 1
|
|
1 0.225750E+01 1.0000000
|
|
P 1
|
|
1 0.115967E+01 1.0000000
|
|
P 1
|
|
1 0.593432E+00 1.0000000
|
|
P 1
|
|
1 0.290119E+00 1.0000000
|
|
P 1
|
|
1 0.138249E+00 1.0000000
|
|
P 1
|
|
1 0.645939E-01 1.0000000
|
|
P 1
|
|
1 0.283545E-01 1.0000000
|
|
P 1
|
|
1 0.11442E-01 1.0000000
|
|
D 1
|
|
1 0.1073600000E+03 1.0000000
|
|
D 1
|
|
1 0.1952000000E+02 1.0000000
|
|
D 1
|
|
1 0.5580000000E+01 1.0000000
|
|
D 1
|
|
1 0.1920000000E+01 1.0000000
|
|
D 1
|
|
1 0.6900000000E+00 1.0000000
|
|
D 1
|
|
1 0.2990000000E+00 1.0000000
|
|
D 1
|
|
1 0.1250000000E+00 1.0000000
|
|
D 1
|
|
1 0.34326E-01 1.0000000
|
|
F 1
|
|
1 0.2376000000E+02 1.0000000
|
|
F 1
|
|
1 0.2640000000E+01 1.0000000
|
|
F 1
|
|
1 0.6200000000E+00 1.0000000
|
|
F 1
|
|
1 0.2600000000E+00 1.0000000
|
|
F 1
|
|
1 0.45768E-01 1.0000000
|
|
G 1
|
|
1 0.1350000000E+01 1.0000000
|
|
G 1
|
|
1 0.4500000000E+00 1.0000000
|
|
G 1
|
|
1 0.57211E-01 1.0000000
|
|
H 1
|
|
1 0.7800000000E+00 1.0000000
|
|
H 1
|
|
1 0.68653E-01 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 9
|
|
1 0.105250E+09 0.139970E-05
|
|
2 0.526252E+07 0.349856E-04
|
|
3 0.822125E+06 0.262478E-03
|
|
4 0.194253E+06 0.131554E-02
|
|
5 0.564235E+05 0.542831E-02
|
|
6 0.187160E+05 0.194425E-01
|
|
7 0.683928E+04 0.626518E-01
|
|
8 0.269306E+04 0.184516E+00
|
|
9 0.112648E+04 0.500000E+00
|
|
S 4
|
|
1 0.495208E+03 0.636069E-01
|
|
2 0.226383E+03 0.147737E+00
|
|
3 0.106617E+03 0.304993E+00
|
|
4 0.519048E+02 0.500000E+00
|
|
S 1
|
|
1 0.258506E+02 1.0000000
|
|
S 1
|
|
1 0.130219E+02 1.0000000
|
|
S 1
|
|
1 0.605679E+01 1.0000000
|
|
S 1
|
|
1 0.295743E+01 1.0000000
|
|
S 1
|
|
1 0.140784E+01 1.0000000
|
|
S 1
|
|
1 0.571875E+00 1.0000000
|
|
S 1
|
|
1 0.310778E+00 1.0000000
|
|
S 1
|
|
1 0.149470E+00 1.0000000
|
|
S 1
|
|
1 0.683135E-01 1.0000000
|
|
S 1
|
|
1 0.28607E-01 1.0000000
|
|
P 6
|
|
1 0.503661E+05 0.272100E-04
|
|
2 0.774862E+04 0.549757E-03
|
|
3 0.183359E+04 0.516558E-02
|
|
4 0.595546E+03 0.295369E-01
|
|
5 0.226610E+03 0.135379E+00
|
|
6 0.941913E+02 0.500000E+00
|
|
P 4
|
|
1 0.433319E+02 0.749090E-01
|
|
2 0.209074E+02 0.186761E+00
|
|
3 0.105015E+02 0.334447E+00
|
|
4 0.542547E+01 0.500000E+00
|
|
P 1
|
|
1 0.288179E+01 1.0000000
|
|
P 1
|
|
1 0.152843E+01 1.0000000
|
|
P 1
|
|
1 0.810815E+00 1.0000000
|
|
P 1
|
|
1 0.390282E+00 1.0000000
|
|
P 1
|
|
1 0.186453E+00 1.0000000
|
|
P 1
|
|
1 0.875669E-01 1.0000000
|
|
P 1
|
|
1 0.386731E-01 1.0000000
|
|
P 1
|
|
1 0.15693E-01 1.0000000
|
|
D 1
|
|
1 0.1167650000E+03 1.0000000
|
|
D 1
|
|
1 0.2123000000E+02 1.0000000
|
|
D 1
|
|
1 0.6070000000E+01 1.0000000
|
|
D 1
|
|
1 0.2090000000E+01 1.0000000
|
|
D 1
|
|
1 0.7500000000E+00 1.0000000
|
|
D 1
|
|
1 0.3250000000E+00 1.0000000
|
|
D 1
|
|
1 0.1350000000E+00 1.0000000
|
|
D 1
|
|
1 0.47080E-01 1.0000000
|
|
F 1
|
|
1 0.2808000000E+02 1.0000000
|
|
F 1
|
|
1 0.3120000000E+01 1.0000000
|
|
F 1
|
|
1 0.7300000000E+00 1.0000000
|
|
F 1
|
|
1 0.3000000000E+00 1.0000000
|
|
F 1
|
|
1 0.62774E-01 1.0000000
|
|
G 1
|
|
1 0.1550000000E+01 1.0000000
|
|
G 1
|
|
1 0.5200000000E+00 1.0000000
|
|
G 1
|
|
1 0.78467E-01 1.0000000
|
|
H 1
|
|
1 0.8700000000E+00 1.0000000
|
|
H 1
|
|
1 0.94161E-01 1.0000000
|
|
|
|
SULFUR
|
|
S 9
|
|
1 0.127184E+09 0.132081E-05
|
|
2 0.635920E+07 0.331254E-04
|
|
3 0.983887E+06 0.252672E-03
|
|
4 0.229773E+06 0.128454E-02
|
|
5 0.662758E+05 0.533304E-02
|
|
6 0.218839E+05 0.191987E-01
|
|
7 0.796959E+04 0.620807E-01
|
|
8 0.312992E+04 0.183503E+00
|
|
9 0.130517E+04 0.500000E+00
|
|
S 4
|
|
1 0.571698E+03 0.626165E-01
|
|
2 0.260581E+03 0.146139E+00
|
|
3 0.122481E+03 0.302887E+00
|
|
4 0.595182E+02 0.500000E+00
|
|
S 1
|
|
1 0.296267E+02 1.0000000
|
|
S 1
|
|
1 0.149432E+02 1.0000000
|
|
S 1
|
|
1 0.704789E+01 1.0000000
|
|
S 1
|
|
1 0.350404E+01 1.0000000
|
|
S 1
|
|
1 0.169969E+01 1.0000000
|
|
S 1
|
|
1 0.731007E+00 1.0000000
|
|
S 1
|
|
1 0.379476E+00 1.0000000
|
|
S 1
|
|
1 0.181852E+00 1.0000000
|
|
S 1
|
|
1 0.839606E-01 1.0000000
|
|
S 1
|
|
1 0.35487E-01 1.0000000
|
|
P 6
|
|
1 0.607190E+05 0.271017E-04
|
|
2 0.934139E+04 0.547814E-03
|
|
3 0.220865E+04 0.516183E-02
|
|
4 0.716270E+03 0.296504E-01
|
|
5 0.272505E+03 0.136138E+00
|
|
6 0.113768E+03 0.500000E+00
|
|
P 4
|
|
1 0.525714E+02 0.716982E-01
|
|
2 0.253973E+02 0.180774E+00
|
|
3 0.127703E+02 0.333838E+00
|
|
4 0.662243E+01 0.500000E+00
|
|
P 1
|
|
1 0.353882E+01 1.0000000
|
|
P 1
|
|
1 0.187562E+01 1.0000000
|
|
P 1
|
|
1 0.990177E+00 1.0000000
|
|
P 1
|
|
1 0.477231E+00 1.0000000
|
|
P 1
|
|
1 0.226924E+00 1.0000000
|
|
P 1
|
|
1 0.104733E+00 1.0000000
|
|
P 1
|
|
1 0.453027E-01 1.0000000
|
|
P 1
|
|
1 0.18036E-01 1.0000000
|
|
D 1
|
|
1 0.1261150000E+03 1.0000000
|
|
D 1
|
|
1 0.2293000000E+02 1.0000000
|
|
D 1
|
|
1 0.6550000000E+01 1.0000000
|
|
D 1
|
|
1 0.2260000000E+01 1.0000000
|
|
D 1
|
|
1 0.8100000000E+00 1.0000000
|
|
D 1
|
|
1 0.3510000000E+00 1.0000000
|
|
D 1
|
|
1 0.1460000000E+00 1.0000000
|
|
D 1
|
|
1 0.54107E-01 1.0000000
|
|
F 1
|
|
1 0.3231000000E+02 1.0000000
|
|
F 1
|
|
1 0.3590000000E+01 1.0000000
|
|
F 1
|
|
1 0.8400000000E+00 1.0000000
|
|
F 1
|
|
1 0.3500000000E+00 1.0000000
|
|
F 1
|
|
1 0.72142E-01 1.0000000
|
|
G 1
|
|
1 0.1760000000E+01 1.0000000
|
|
G 1
|
|
1 0.5900000000E+00 1.0000000
|
|
G 1
|
|
1 0.90178E-01 1.0000000
|
|
H 1
|
|
1 0.9500000000E+00 1.0000000
|
|
H 1
|
|
1 0.10821E+00 1.0000000
|
|
|
|
CHLORINE
|
|
S 9
|
|
1 0.148425E+09 0.127032E-05
|
|
2 0.742123E+07 0.319487E-04
|
|
3 0.114107E+07 0.246176E-03
|
|
4 0.264425E+06 0.126492E-02
|
|
5 0.757909E+05 0.528669E-02
|
|
6 0.249248E+05 0.191034E-01
|
|
7 0.905259E+04 0.619417E-01
|
|
8 0.354813E+04 0.183454E+00
|
|
9 0.147798E+04 0.500000E+00
|
|
S 4
|
|
1 0.647354E+03 0.622870E-01
|
|
2 0.295333E+03 0.145290E+00
|
|
3 0.138978E+03 0.301456E+00
|
|
4 0.675489E+02 0.500000E+00
|
|
S 1
|
|
1 0.336610E+02 1.0000000
|
|
S 1
|
|
1 0.170273E+02 1.0000000
|
|
S 1
|
|
1 0.815043E+01 1.0000000
|
|
S 1
|
|
1 0.413190E+01 1.0000000
|
|
S 1
|
|
1 0.204567E+01 1.0000000
|
|
S 1
|
|
1 0.940294E+00 1.0000000
|
|
S 1
|
|
1 0.469013E+00 1.0000000
|
|
S 1
|
|
1 0.222191E+00 1.0000000
|
|
S 1
|
|
1 0.102198E+00 1.0000000
|
|
S 1
|
|
1 0.43046E-01 1.0000000
|
|
P 6
|
|
1 0.717298E+05 0.272413E-04
|
|
2 0.110354E+05 0.550464E-03
|
|
3 0.261153E+04 0.517609E-02
|
|
4 0.848019E+03 0.297094E-01
|
|
5 0.323004E+03 0.136507E+00
|
|
6 0.135328E+03 0.500000E+00
|
|
P 4
|
|
1 0.626841E+02 0.688405E-01
|
|
2 0.302982E+02 0.175628E+00
|
|
3 0.152400E+02 0.331709E+00
|
|
4 0.792595E+01 0.500000E+00
|
|
P 1
|
|
1 0.428531E+01 1.0000000
|
|
P 1
|
|
1 0.230431E+01 1.0000000
|
|
P 1
|
|
1 0.123574E+01 1.0000000
|
|
P 1
|
|
1 0.600210E+00 1.0000000
|
|
P 1
|
|
1 0.287394E+00 1.0000000
|
|
P 1
|
|
1 0.131853E+00 1.0000000
|
|
P 1
|
|
1 0.569701E-01 1.0000000
|
|
P 1
|
|
1 0.22657E-01 1.0000000
|
|
D 1
|
|
1 0.1354650000E+03 1.0000000
|
|
D 1
|
|
1 0.2463000000E+02 1.0000000
|
|
D 1
|
|
1 0.7040000000E+01 1.0000000
|
|
D 1
|
|
1 0.2430000000E+01 1.0000000
|
|
D 1
|
|
1 0.8700000000E+00 1.0000000
|
|
D 1
|
|
1 0.3770000000E+00 1.0000000
|
|
D 1
|
|
1 0.1570000000E+00 1.0000000
|
|
D 1
|
|
1 0.67972E-01 1.0000000
|
|
F 1
|
|
1 0.3654000000E+02 1.0000000
|
|
F 1
|
|
1 0.4060000000E+01 1.0000000
|
|
F 1
|
|
1 0.9500000000E+00 1.0000000
|
|
F 1
|
|
1 0.3900000000E+00 1.0000000
|
|
F 1
|
|
1 0.90629E-01 1.0000000
|
|
G 1
|
|
1 0.1970000000E+01 1.0000000
|
|
G 1
|
|
1 0.6600000000E+00 1.0000000
|
|
G 1
|
|
1 0.11329E+00 1.0000000
|
|
H 1
|
|
1 0.1040000000E+01 1.0000000
|
|
H 1
|
|
1 0.13594E+00 1.0000000
|
|
|
|
ARGON
|
|
S 9
|
|
1 0.188903E+09 0.113680E-05
|
|
2 0.944513E+07 0.290997E-04
|
|
3 0.141413E+07 0.232330E-03
|
|
4 0.321813E+06 0.121793E-02
|
|
5 0.911579E+05 0.515158E-02
|
|
6 0.297428E+05 0.187689E-01
|
|
7 0.107395E+05 0.612606E-01
|
|
8 0.418999E+04 0.182455E+00
|
|
9 0.173892E+04 0.500000E+00
|
|
S 4
|
|
1 0.759285E+03 0.605690E-01
|
|
2 0.345503E+03 0.142148E+00
|
|
3 0.162357E+03 0.297395E+00
|
|
4 0.788881E+02 0.500000E+00
|
|
S 1
|
|
1 0.393209E+02 1.0000000
|
|
S 1
|
|
1 0.199184E+02 1.0000000
|
|
S 1
|
|
1 0.957641E+01 1.0000000
|
|
S 1
|
|
1 0.491611E+01 1.0000000
|
|
S 1
|
|
1 0.246476E+01 1.0000000
|
|
S 1
|
|
1 0.118304E+01 1.0000000
|
|
S 1
|
|
1 0.575208E+00 1.0000000
|
|
S 1
|
|
1 0.270406E+00 1.0000000
|
|
S 1
|
|
1 0.123116E+00 1.0000000
|
|
S 1
|
|
1 0.51380E-01 1.0000000
|
|
P 6
|
|
1 0.845397E+05 0.273259E-04
|
|
2 0.130061E+05 0.552339E-03
|
|
3 0.307813E+04 0.519391E-02
|
|
4 0.999564E+03 0.298545E-01
|
|
5 0.380974E+03 0.137201E+00
|
|
6 0.160276E+03 0.500000E+00
|
|
P 4
|
|
1 0.744941E+02 0.654866E-01
|
|
2 0.360649E+02 0.169021E+00
|
|
3 0.181644E+02 0.326481E+00
|
|
4 0.946650E+01 0.500000E+00
|
|
P 1
|
|
1 0.516300E+01 1.0000000
|
|
P 1
|
|
1 0.280849E+01 1.0000000
|
|
P 1
|
|
1 0.152347E+01 1.0000000
|
|
P 1
|
|
1 0.743785E+00 1.0000000
|
|
P 1
|
|
1 0.356799E+00 1.0000000
|
|
P 1
|
|
1 0.162215E+00 1.0000000
|
|
P 1
|
|
1 0.699561E-01 1.0000000
|
|
P 1
|
|
1 0.27770E-01 1.0000000
|
|
D 1
|
|
1 0.1448150000E+03 1.0000000
|
|
D 1
|
|
1 0.2633000000E+02 1.0000000
|
|
D 1
|
|
1 0.7530000000E+01 1.0000000
|
|
D 1
|
|
1 0.2600000000E+01 1.0000000
|
|
D 1
|
|
1 0.9300000000E+00 1.0000000
|
|
D 1
|
|
1 0.4100000000E+00 1.0000000
|
|
D 1
|
|
1 0.1700000000E+00 1.0000000
|
|
D 1
|
|
1 0.83310E-01 1.0000000
|
|
F 1
|
|
1 0.4077000000E+02 1.0000000
|
|
F 1
|
|
1 0.4530000000E+01 1.0000000
|
|
F 1
|
|
1 0.1060000000E+01 1.0000000
|
|
F 1
|
|
1 0.4400000000E+00 1.0000000
|
|
F 1
|
|
1 0.11110E+00 1.0000000
|
|
G 1
|
|
1 0.2180000000E+01 1.0000000
|
|
G 1
|
|
1 0.7300000000E+00 1.0000000
|
|
G 1
|
|
1 0.13890E+00 1.0000000
|
|
H 1
|
|
1 0.1120000000E+01 1.0000000
|
|
H 1
|
|
1 0.16660E+00 1.0000000
|
|
|
|
|