mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 06:43:43 +01:00
1404 lines
41 KiB
Plaintext
1404 lines
41 KiB
Plaintext
HYDROGEN
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S 3
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1 0.615934E+05 0.244497E-02
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2 0.307967E+04 0.627032E-01
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3 0.461515E+03 0.500000E+00
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S 1
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1 0.105058E+03 1.0000000
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|
S 1
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1 0.297641E+02 1.0000000
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|
S 1
|
|
1 0.971826E+01 1.0000000
|
|
S 1
|
|
1 0.351795E+01 1.0000000
|
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S 1
|
|
1 0.137696E+01 1.0000000
|
|
S 1
|
|
1 0.568306E+00 1.0000000
|
|
S 1
|
|
1 0.243407E+00 1.0000000
|
|
S 1
|
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1 0.105053E+00 1.0000000
|
|
S 1
|
|
1 0.441983E-01 1.0000000
|
|
S 1
|
|
1 0.171310E-01 1.0000000
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P 1
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1 0.180000E+03 1.0000000
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|
P 1
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|
1 0.300000E+02 1.0000000
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|
P 1
|
|
1 0.660000E+01 1.0000000
|
|
P 1
|
|
1 0.210000E+01 1.0000000
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|
P 1
|
|
1 0.950000E+00 1.0000000
|
|
P 1
|
|
1 0.450000E+00 1.0000000
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|
P 1
|
|
1 0.150000E+00 1.0000000
|
|
P 1
|
|
1 0.513930E-01 1.0000000
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D 1
|
|
1 0.126000E+02 1.0000000
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D 1
|
|
1 0.210000E+01 1.0000000
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D 1
|
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1 0.700000E+00 1.0000000
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|
D 1
|
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1 0.300000E+00 1.0000000
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D 1
|
|
1 0.685240E-01 1.0000000
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F 1
|
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1 0.250000E+01 1.0000000
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F 1
|
|
1 0.900000E+00 1.0000000
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F 1
|
|
1 0.856560E-01 1.0000000
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G 1
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1 0.320000E+01 1.0000000
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G 1
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1 0.102790E+00 1.0000000
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HELIUM
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S 3
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1 0.175603E+06 0.244583E-02
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2 0.878017E+04 0.627365E-01
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3 0.131561E+04 0.500000E+00
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S 1
|
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1 0.299460E+03 1.0000000
|
|
S 1
|
|
1 0.848329E+02 1.0000000
|
|
S 1
|
|
1 0.276909E+02 1.0000000
|
|
S 1
|
|
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
|
|
S 1
|
|
1 0.264585E+00 1.0000000
|
|
S 1
|
|
1 0.105847E+00 1.0000000
|
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S 1
|
|
1 0.392000E-01 1.0000000
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P 1
|
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1 0.243000E+03 1.0000000
|
|
P 1
|
|
1 0.405000E+02 1.0000000
|
|
P 1
|
|
1 0.890000E+01 1.0000000
|
|
P 1
|
|
1 0.285000E+01 1.0000000
|
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P 1
|
|
1 0.130000E+01 1.0000000
|
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P 1
|
|
1 0.600000E+00 1.0000000
|
|
P 1
|
|
1 0.200000E+00 1.0000000
|
|
P 1
|
|
1 0.117600E+00 1.0000000
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D 1
|
|
1 0.222000E+02 1.0000000
|
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D 1
|
|
1 0.370000E+01 1.0000000
|
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D 1
|
|
1 0.120000E+01 1.0000000
|
|
D 1
|
|
1 0.500000E+00 1.0000000
|
|
D 1
|
|
1 0.156800E+00 1.0000000
|
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F 1
|
|
1 0.410000E+01 1.0000000
|
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F 1
|
|
1 0.150000E+01 1.0000000
|
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F 1
|
|
1 0.196000E+00 1.0000000
|
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G 1
|
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1 0.465000E+01 1.0000000
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G 1
|
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1 0.235200E+00 1.0000000
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|
|
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BORON
|
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S 5
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1 0.148500E+08 0.109128E-03
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2 0.742499E+06 0.280904E-02
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3 0.110930E+06 0.224736E-01
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4 0.252031E+05 0.118158E+00
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5 0.712926E+04 0.500000E+00
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S 1
|
|
1 0.232470E+04 1.0000000
|
|
S 1
|
|
1 0.839052E+03 1.0000000
|
|
S 1
|
|
1 0.327789E+03 1.0000000
|
|
S 1
|
|
1 0.136722E+03 1.0000000
|
|
S 1
|
|
1 0.602936E+02 1.0000000
|
|
S 1
|
|
1 0.277313E+02 1.0000000
|
|
S 1
|
|
1 0.129925E+02 1.0000000
|
|
S 1
|
|
1 0.625514E+01 1.0000000
|
|
S 1
|
|
1 0.314720E+01 1.0000000
|
|
S 1
|
|
1 0.156268E+01 1.0000000
|
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S 1
|
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1 0.740663E+00 1.0000000
|
|
S 1
|
|
1 0.312902E+00 1.0000000
|
|
S 1
|
|
1 0.131424E+00 1.0000000
|
|
S 1
|
|
1 0.547071E-01 1.0000000
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S 1
|
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1 0.210300E-01 1.0000000
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P 3
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1 0.148096E+04 0.272416E-02
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2 0.227840E+03 0.565915E-01
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3 0.539221E+02 0.500000E+00
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P 1
|
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1 0.170481E+02 1.0000000
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P 1
|
|
1 0.600196E+01 1.0000000
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P 1
|
|
1 0.260659E+01 1.0000000
|
|
P 1
|
|
1 0.119622E+01 1.0000000
|
|
P 1
|
|
1 0.569666E+00 1.0000000
|
|
P 1
|
|
1 0.273773E+00 1.0000000
|
|
P 1
|
|
1 0.128802E+00 1.0000000
|
|
P 1
|
|
1 0.596530E-01 1.0000000
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|
P 1
|
|
1 0.261899E-01 1.0000000
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|
P 1
|
|
1 0.105700E-01 1.0000000
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|
D 1
|
|
1 0.795000E+02 1.0000000
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D 1
|
|
1 0.530000E+01 1.0000000
|
|
D 1
|
|
1 0.190000E+01 1.0000000
|
|
D 1
|
|
1 0.750000E+00 1.0000000
|
|
D 1
|
|
1 0.350000E+00 1.0000000
|
|
D 1
|
|
1 0.160000E+00 1.0000000
|
|
D 1
|
|
1 0.600000E-01 1.0000000
|
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D 1
|
|
1 0.300000E-01 1.0000000
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F 1
|
|
1 0.665000E+01 1.0000000
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F 1
|
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1 0.190000E+01 1.0000000
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|
F 1
|
|
1 0.800000E+00 1.0000000
|
|
F 1
|
|
1 0.350000E+00 1.0000000
|
|
F 1
|
|
1 0.422800E-01 1.0000000
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G 1
|
|
1 0.165000E+01 1.0000000
|
|
G 1
|
|
1 0.700000E+00 1.0000000
|
|
G 1
|
|
1 0.528500E-01 1.0000000
|
|
H 1
|
|
1 0.175000E+01 1.0000000
|
|
H 1
|
|
1 0.634100E-01 1.0000000
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|
|
|
CARBON
|
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S 5
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1 0.105555E+08 0.110362E-03
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2 0.527777E+06 0.283050E-02
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3 0.791055E+05 0.225690E-01
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4 0.180064E+05 0.118281E+00
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5 0.510083E+04 0.500000E+00
|
|
S 1
|
|
1 0.166465E+04 1.0000000
|
|
S 1
|
|
1 0.601664E+03 1.0000000
|
|
S 1
|
|
1 0.235397E+03 1.0000000
|
|
S 1
|
|
1 0.982634E+02 1.0000000
|
|
S 1
|
|
1 0.432689E+02 1.0000000
|
|
S 1
|
|
1 0.198583E+02 1.0000000
|
|
S 1
|
|
1 0.956918E+01 1.0000000
|
|
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
|
|
S 1
|
|
1 0.264520E-01 1.0000000
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|
P 3
|
|
1 0.248433E+04 0.269972E-02
|
|
2 0.382205E+03 0.562035E-01
|
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3 0.904894E+02 0.500000E+00
|
|
P 1
|
|
1 0.288706E+02 1.0000000
|
|
P 1
|
|
1 0.103854E+02 1.0000000
|
|
P 1
|
|
1 0.449718E+01 1.0000000
|
|
P 1
|
|
1 0.202740E+01 1.0000000
|
|
P 1
|
|
1 0.951542E+00 1.0000000
|
|
P 1
|
|
1 0.448145E+00 1.0000000
|
|
P 1
|
|
1 0.207211E+00 1.0000000
|
|
P 1
|
|
1 0.948698E-01 1.0000000
|
|
P 1
|
|
1 0.408427E-01 1.0000000
|
|
P 1
|
|
1 0.162070E-01 1.0000000
|
|
D 1
|
|
1 0.126000E+03 1.0000000
|
|
D 1
|
|
1 0.840000E+01 1.0000000
|
|
D 1
|
|
1 0.300000E+01 1.0000000
|
|
D 1
|
|
1 0.120000E+01 1.0000000
|
|
D 1
|
|
1 0.550000E+00 1.0000000
|
|
D 1
|
|
1 0.250000E+00 1.0000000
|
|
D 1
|
|
1 0.100000E+00 1.0000000
|
|
D 1
|
|
1 0.486220E-01 1.0000000
|
|
F 1
|
|
1 0.735000E+01 1.0000000
|
|
F 1
|
|
1 0.210000E+01 1.0000000
|
|
F 1
|
|
1 0.900000E+00 1.0000000
|
|
F 1
|
|
1 0.400000E+00 1.0000000
|
|
F 1
|
|
1 0.648300E-01 1.0000000
|
|
G 1
|
|
1 0.210000E+01 1.0000000
|
|
G 1
|
|
1 0.900000E+00 1.0000000
|
|
G 1
|
|
1 0.810370E-01 1.0000000
|
|
H 1
|
|
1 0.185000E+01 1.0000000
|
|
H 1
|
|
1 0.972440E-01 1.0000000
|
|
|
|
NITROGEN
|
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S 5
|
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1 0.178952E+08 0.112286E-03
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2 0.894758E+06 0.287180E-02
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3 0.134825E+06 0.227338E-01
|
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4 0.308080E+05 0.118640E+00
|
|
5 0.875150E+04 0.500000E+00
|
|
S 1
|
|
1 0.286197E+04 1.0000000
|
|
S 1
|
|
1 0.103532E+04 1.0000000
|
|
S 1
|
|
1 0.404732E+03 1.0000000
|
|
S 1
|
|
1 0.168327E+03 1.0000000
|
|
S 1
|
|
1 0.736950E+02 1.0000000
|
|
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 0.375420E-01 1.0000000
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|
P 3
|
|
1 0.368047E+04 0.269260E-02
|
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2 0.566226E+03 0.557959E-01
|
|
3 0.134104E+03 0.500000E+00
|
|
P 1
|
|
1 0.430132E+02 1.0000000
|
|
P 1
|
|
1 0.156118E+02 1.0000000
|
|
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
|
|
P 1
|
|
1 0.226840E-01 1.0000000
|
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D 1
|
|
1 0.192000E+03 1.0000000
|
|
D 1
|
|
1 0.128000E+02 1.0000000
|
|
D 1
|
|
1 0.440000E+01 1.0000000
|
|
D 1
|
|
1 0.175000E+01 1.0000000
|
|
D 1
|
|
1 0.800000E+00 1.0000000
|
|
D 1
|
|
1 0.370000E+00 1.0000000
|
|
D 1
|
|
1 0.150000E+00 1.0000000
|
|
D 1
|
|
1 0.680530E-01 1.0000000
|
|
F 1
|
|
1 0.805000E+01 1.0000000
|
|
F 1
|
|
1 0.230000E+01 1.0000000
|
|
F 1
|
|
1 0.100000E+01 1.0000000
|
|
F 1
|
|
1 0.450000E+00 1.0000000
|
|
F 1
|
|
1 0.907370E-01 1.0000000
|
|
G 1
|
|
1 0.255000E+01 1.0000000
|
|
G 1
|
|
1 0.110000E+01 1.0000000
|
|
G 1
|
|
1 0.113420E+00 1.0000000
|
|
H 1
|
|
1 0.195000E+01 1.0000000
|
|
H 1
|
|
1 0.136110E+00 1.0000000
|
|
|
|
OXYGEN
|
|
S 5
|
|
1 0.251945E+08 0.112511E-03
|
|
2 0.125972E+07 0.287411E-02
|
|
3 0.190112E+06 0.227237E-01
|
|
4 0.434490E+05 0.118573E+00
|
|
5 0.123423E+05 0.500000E+00
|
|
S 1
|
|
1 0.403498E+04 1.0000000
|
|
S 1
|
|
1 0.145968E+04 1.0000000
|
|
S 1
|
|
1 0.570656E+03 1.0000000
|
|
S 1
|
|
1 0.237504E+03 1.0000000
|
|
S 1
|
|
1 0.104112E+03 1.0000000
|
|
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 0.490940E-01 1.0000000
|
|
P 3
|
|
1 0.460594E+04 0.269926E-02
|
|
2 0.708607E+03 0.556249E-01
|
|
3 0.167862E+03 0.500000E+00
|
|
P 1
|
|
1 0.539666E+02 1.0000000
|
|
P 1
|
|
1 0.198074E+02 1.0000000
|
|
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 0.249670E-01 1.0000000
|
|
D 1
|
|
1 0.273000E+03 1.0000000
|
|
D 1
|
|
1 0.182000E+02 1.0000000
|
|
D 1
|
|
1 0.600000E+01 1.0000000
|
|
D 1
|
|
1 0.240000E+01 1.0000000
|
|
D 1
|
|
1 0.110000E+01 1.0000000
|
|
D 1
|
|
1 0.500000E+00 1.0000000
|
|
D 1
|
|
1 0.200000E+00 1.0000000
|
|
D 1
|
|
1 0.749020E-01 1.0000000
|
|
F 1
|
|
1 0.910000E+01 1.0000000
|
|
F 1
|
|
1 0.260000E+01 1.0000000
|
|
F 1
|
|
1 0.115000E+01 1.0000000
|
|
F 1
|
|
1 0.500000E+00 1.0000000
|
|
F 1
|
|
1 0.998700E-01 1.0000000
|
|
G 1
|
|
1 0.305000E+01 1.0000000
|
|
G 1
|
|
1 0.130000E+01 1.0000000
|
|
G 1
|
|
1 0.124840E+00 1.0000000
|
|
H 1
|
|
1 0.205000E+01 1.0000000
|
|
H 1
|
|
1 0.149800E+00 1.0000000
|
|
|
|
FLUORINE
|
|
S 5
|
|
1 0.371204E+08 0.112736E-03
|
|
2 0.185602E+07 0.288213E-02
|
|
3 0.280068E+06 0.227717E-01
|
|
4 0.640777E+05 0.118641E+00
|
|
5 0.182157E+05 0.500000E+00
|
|
S 1
|
|
1 0.595779E+04 1.0000000
|
|
S 1
|
|
1 0.215503E+04 1.0000000
|
|
S 1
|
|
1 0.841957E+03 1.0000000
|
|
S 1
|
|
1 0.349819E+03 1.0000000
|
|
S 1
|
|
1 0.152788E+03 1.0000000
|
|
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 0.653130E-01 1.0000000
|
|
P 3
|
|
1 0.596629E+04 0.269371E-02
|
|
2 0.917891E+03 0.554312E-01
|
|
3 0.217410E+03 0.500000E+00
|
|
P 1
|
|
1 0.699386E+02 1.0000000
|
|
P 1
|
|
1 0.258308E+02 1.0000000
|
|
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 0.324080E-01 1.0000000
|
|
D 1
|
|
1 0.382500E+03 1.0000000
|
|
D 1
|
|
1 0.255000E+02 1.0000000
|
|
D 1
|
|
1 0.800000E+01 1.0000000
|
|
D 1
|
|
1 0.320000E+01 1.0000000
|
|
D 1
|
|
1 0.145000E+01 1.0000000
|
|
D 1
|
|
1 0.650000E+00 1.0000000
|
|
D 1
|
|
1 0.250000E+00 1.0000000
|
|
D 1
|
|
1 0.972230E-01 1.0000000
|
|
F 1
|
|
1 0.108500E+02 1.0000000
|
|
F 1
|
|
1 0.310000E+01 1.0000000
|
|
F 1
|
|
1 0.135000E+01 1.0000000
|
|
F 1
|
|
1 0.600000E+00 1.0000000
|
|
F 1
|
|
1 0.129630E+00 1.0000000
|
|
G 1
|
|
1 0.360000E+01 1.0000000
|
|
G 1
|
|
1 0.155000E+01 1.0000000
|
|
G 1
|
|
1 0.162040E+00 1.0000000
|
|
H 1
|
|
1 0.215000E+01 1.0000000
|
|
H 1
|
|
1 0.194450E+00 1.0000000
|
|
|
|
NEON
|
|
S 5
|
|
1 0.504516E+08 0.109582E-03
|
|
2 0.252258E+07 0.281316E-02
|
|
3 0.377056E+06 0.225062E-01
|
|
4 0.857126E+05 0.118106E+00
|
|
5 0.242614E+05 0.500000E+00
|
|
S 1
|
|
1 0.791171E+04 1.0000000
|
|
S 1
|
|
1 0.285550E+04 1.0000000
|
|
S 1
|
|
1 0.111359E+04 1.0000000
|
|
S 1
|
|
1 0.461889E+03 1.0000000
|
|
S 1
|
|
1 0.201352E+03 1.0000000
|
|
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 0.816400E-01 1.0000000
|
|
P 3
|
|
1 0.760436E+04 0.268975E-02
|
|
2 0.116990E+04 0.552792E-01
|
|
3 0.277106E+03 0.500000E+00
|
|
P 1
|
|
1 0.892636E+02 1.0000000
|
|
P 1
|
|
1 0.331003E+02 1.0000000
|
|
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 0.405700E-01 1.0000000
|
|
D 1
|
|
1 0.480000E+03 1.0000000
|
|
D 1
|
|
1 0.320000E+02 1.0000000
|
|
D 1
|
|
1 0.101000E+02 1.0000000
|
|
D 1
|
|
1 0.400000E+01 1.0000000
|
|
D 1
|
|
1 0.185000E+01 1.0000000
|
|
D 1
|
|
1 0.800000E+00 1.0000000
|
|
D 1
|
|
1 0.300000E+00 1.0000000
|
|
D 1
|
|
1 0.127100E+00 1.0000000
|
|
F 1
|
|
1 0.126000E+02 1.0000000
|
|
F 1
|
|
1 0.360000E+01 1.0000000
|
|
F 1
|
|
1 0.155000E+01 1.0000000
|
|
F 1
|
|
1 0.700000E+00 1.0000000
|
|
F 1
|
|
1 0.162300E+00 1.0000000
|
|
G 1
|
|
1 0.420000E+01 1.0000000
|
|
G 1
|
|
1 0.180000E+01 1.0000000
|
|
G 1
|
|
1 0.202800E+00 1.0000000
|
|
H 1
|
|
1 0.225000E+01 1.0000000
|
|
H 1
|
|
1 0.243400E+00 1.0000000
|
|
|
|
ALUMINUM
|
|
S 7
|
|
1 0.769034E+08 0.241009E-04
|
|
2 0.384517E+07 0.631425E-03
|
|
3 0.575264E+06 0.472760E-02
|
|
4 0.130858E+06 0.281705E-01
|
|
5 0.370630E+05 0.938197E-01
|
|
6 0.120944E+05 0.391943E+00
|
|
7 0.436684E+04 0.500000E+00
|
|
S 7
|
|
1 0.384517E+07 -0.155380E-05
|
|
2 0.575264E+06 0.285791E-04
|
|
3 0.130858E+06 -0.286644E-03
|
|
4 0.370630E+05 0.205760E-02
|
|
5 0.120944E+05 0.987792E-03
|
|
6 0.436684E+04 0.103783E+00
|
|
7 0.170362E+04 0.500000E+00
|
|
S 1
|
|
1 0.707134E+03 1.0000000
|
|
S 1
|
|
1 0.308972E+03 1.0000000
|
|
S 1
|
|
1 0.140711E+03 1.0000000
|
|
S 1
|
|
1 0.659171E+02 1.0000000
|
|
S 1
|
|
1 0.317297E+02 1.0000000
|
|
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 0.147000E-01 1.0000000
|
|
P 6
|
|
1 0.369672E+05 0.274624E-04
|
|
2 0.568726E+04 0.553649E-03
|
|
3 0.134521E+04 0.521631E-02
|
|
4 0.436378E+03 0.298403E-01
|
|
5 0.165446E+03 0.137627E+00
|
|
6 0.686188E+02 0.500000E+00
|
|
P 1
|
|
1 0.318753E+02 1.0000000
|
|
P 1
|
|
1 0.154322E+02 1.0000000
|
|
P 1
|
|
1 0.775703E+01 1.0000000
|
|
P 1
|
|
1 0.392565E+01 1.0000000
|
|
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 0.812900E-02 1.0000000
|
|
D 1
|
|
1 0.979550E+02 1.0000000
|
|
D 1
|
|
1 0.178100E+02 1.0000000
|
|
D 1
|
|
1 0.509000E+01 1.0000000
|
|
D 1
|
|
1 0.175000E+01 1.0000000
|
|
D 1
|
|
1 0.630000E+00 1.0000000
|
|
D 1
|
|
1 0.270000E+00 1.0000000
|
|
D 1
|
|
1 0.110000E+00 1.0000000
|
|
D 1
|
|
1 0.243900E-01 1.0000000
|
|
F 1
|
|
1 0.195300E+02 1.0000000
|
|
F 1
|
|
1 0.217000E+01 1.0000000
|
|
F 1
|
|
1 0.510000E+00 1.0000000
|
|
F 1
|
|
1 0.210000E+00 1.0000000
|
|
F 1
|
|
1 0.325200E-01 1.0000000
|
|
G 1
|
|
1 0.114000E+01 1.0000000
|
|
G 1
|
|
1 0.380000E+00 1.0000000
|
|
G 1
|
|
1 0.406400E-01 1.0000000
|
|
H 1
|
|
1 0.690000E+00 1.0000000
|
|
H 1
|
|
1 0.487700E-01 1.0000000
|
|
|
|
SILICON
|
|
S 7
|
|
1 0.923166E+08 0.174890E-04
|
|
2 0.461583E+07 0.416805E-03
|
|
3 0.719013E+06 0.330102E-02
|
|
4 0.169992E+06 0.159818E-01
|
|
5 0.493998E+05 0.655069E-01
|
|
6 0.163852E+05 0.204381E+00
|
|
7 0.598542E+04 0.500000E+00
|
|
S 7
|
|
1 0.461583E+07 0.502090E-05
|
|
2 0.719013E+06 0.164880E-05
|
|
3 0.169992E+06 0.123169E-03
|
|
4 0.493998E+05 0.600844E-03
|
|
5 0.163852E+05 0.865918E-02
|
|
6 0.598542E+04 0.620425E-01
|
|
7 0.235411E+04 0.500000E+00
|
|
S 1
|
|
1 0.981401E+03 1.0000000
|
|
S 1
|
|
1 0.428896E+03 1.0000000
|
|
S 1
|
|
1 0.194540E+03 1.0000000
|
|
S 1
|
|
1 0.907770E+02 1.0000000
|
|
S 1
|
|
1 0.437154E+02 1.0000000
|
|
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 0.218970E-01 1.0000000
|
|
P 6
|
|
1 0.419464E+05 0.270534E-04
|
|
2 0.645329E+04 0.542040E-03
|
|
3 0.153395E+04 0.506288E-02
|
|
4 0.498384E+03 0.289748E-01
|
|
5 0.188978E+03 0.133718E+00
|
|
6 0.778870E+02 0.500000E+00
|
|
P 1
|
|
1 0.355138E+02 1.0000000
|
|
P 1
|
|
1 0.170159E+02 1.0000000
|
|
P 1
|
|
1 0.849770E+01 1.0000000
|
|
P 1
|
|
1 0.435444E+01 1.0000000
|
|
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 0.114420E-01 1.0000000
|
|
D 1
|
|
1 0.107360E+03 1.0000000
|
|
D 1
|
|
1 0.195200E+02 1.0000000
|
|
D 1
|
|
1 0.558000E+01 1.0000000
|
|
D 1
|
|
1 0.192000E+01 1.0000000
|
|
D 1
|
|
1 0.690000E+00 1.0000000
|
|
D 1
|
|
1 0.299000E+00 1.0000000
|
|
D 1
|
|
1 0.125000E+00 1.0000000
|
|
D 1
|
|
1 0.343260E-01 1.0000000
|
|
F 1
|
|
1 0.237600E+02 1.0000000
|
|
F 1
|
|
1 0.264000E+01 1.0000000
|
|
F 1
|
|
1 0.620000E+00 1.0000000
|
|
F 1
|
|
1 0.260000E+00 1.0000000
|
|
F 1
|
|
1 0.457680E-01 1.0000000
|
|
G 1
|
|
1 0.135000E+01 1.0000000
|
|
G 1
|
|
1 0.450000E+00 1.0000000
|
|
G 1
|
|
1 0.572110E-01 1.0000000
|
|
H 1
|
|
1 0.780000E+00 1.0000000
|
|
H 1
|
|
1 0.686530E-01 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 7
|
|
1 0.105250E+09 0.173787E-04
|
|
2 0.526252E+07 0.412410E-03
|
|
3 0.822125E+06 0.326601E-02
|
|
4 0.194253E+06 0.157611E-01
|
|
5 0.564235E+05 0.650621E-01
|
|
6 0.187160E+05 0.201150E+00
|
|
7 0.683928E+04 0.500000E+00
|
|
S 7
|
|
1 0.526252E+07 -0.519380E-05
|
|
2 0.822125E+06 -0.138550E-05
|
|
3 0.194253E+06 -0.139249E-03
|
|
4 0.564235E+05 -0.568817E-03
|
|
5 0.187160E+05 -0.896674E-02
|
|
6 0.683928E+04 -0.611038E-01
|
|
7 0.269306E+04 -0.500000E+00
|
|
S 1
|
|
1 0.112648E+04 1.0000000
|
|
S 1
|
|
1 0.495208E+03 1.0000000
|
|
S 1
|
|
1 0.226383E+03 1.0000000
|
|
S 1
|
|
1 0.106617E+03 1.0000000
|
|
S 1
|
|
1 0.519048E+02 1.0000000
|
|
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 0.286070E-01 1.0000000
|
|
P 6
|
|
1 0.503661E+05 0.272106E-04
|
|
2 0.774862E+04 0.549774E-03
|
|
3 0.183359E+04 0.516564E-02
|
|
4 0.595546E+03 0.295367E-01
|
|
5 0.226610E+03 0.135383E+00
|
|
6 0.941913E+02 0.500000E+00
|
|
P 1
|
|
1 0.433319E+02 1.0000000
|
|
P 1
|
|
1 0.209074E+02 1.0000000
|
|
P 1
|
|
1 0.105015E+02 1.0000000
|
|
P 1
|
|
1 0.542547E+01 1.0000000
|
|
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 0.156930E-01 1.0000000
|
|
D 1
|
|
1 0.116765E+03 1.0000000
|
|
D 1
|
|
1 0.212300E+02 1.0000000
|
|
D 1
|
|
1 0.607000E+01 1.0000000
|
|
D 1
|
|
1 0.209000E+01 1.0000000
|
|
D 1
|
|
1 0.750000E+00 1.0000000
|
|
D 1
|
|
1 0.325000E+00 1.0000000
|
|
D 1
|
|
1 0.135000E+00 1.0000000
|
|
D 1
|
|
1 0.470800E-01 1.0000000
|
|
F 1
|
|
1 0.280800E+02 1.0000000
|
|
F 1
|
|
1 0.312000E+01 1.0000000
|
|
F 1
|
|
1 0.730000E+00 1.0000000
|
|
F 1
|
|
1 0.300000E+00 1.0000000
|
|
F 1
|
|
1 0.627740E-01 1.0000000
|
|
G 1
|
|
1 0.155000E+01 1.0000000
|
|
G 1
|
|
1 0.520000E+00 1.0000000
|
|
G 1
|
|
1 0.784670E-01 1.0000000
|
|
H 1
|
|
1 0.870000E+00 1.0000000
|
|
H 1
|
|
1 0.941610E-01 1.0000000
|
|
|
|
SULFUR
|
|
S 7
|
|
1 0.127184E+09 0.169729E-04
|
|
2 0.635920E+07 0.400489E-03
|
|
3 0.983887E+06 0.322623E-02
|
|
4 0.229773E+06 0.159241E-01
|
|
5 0.662758E+05 0.653870E-01
|
|
6 0.218839E+05 0.206152E+00
|
|
7 0.796959E+04 0.500000E+00
|
|
S 7
|
|
1 0.635920E+07 0.577010E-05
|
|
2 0.983887E+06 0.778260E-05
|
|
3 0.229773E+06 0.140229E-03
|
|
4 0.662758E+05 0.735060E-03
|
|
5 0.218839E+05 0.881566E-02
|
|
6 0.796959E+04 0.636601E-01
|
|
7 0.312992E+04 0.500000E+00
|
|
S 1
|
|
1 0.130517E+04 1.0000000
|
|
S 1
|
|
1 0.571698E+03 1.0000000
|
|
S 1
|
|
1 0.260581E+03 1.0000000
|
|
S 1
|
|
1 0.122481E+03 1.0000000
|
|
S 1
|
|
1 0.595182E+02 1.0000000
|
|
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 0.354870E-01 1.0000000
|
|
P 6
|
|
1 0.607190E+05 0.271033E-04
|
|
2 0.934139E+04 0.547795E-03
|
|
3 0.220865E+04 0.516211E-02
|
|
4 0.716270E+03 0.296495E-01
|
|
5 0.272505E+03 0.136143E+00
|
|
6 0.113768E+03 0.500000E+00
|
|
P 1
|
|
1 0.525714E+02 1.0000000
|
|
P 1
|
|
1 0.253973E+02 1.0000000
|
|
P 1
|
|
1 0.127703E+02 1.0000000
|
|
P 1
|
|
1 0.662243E+01 1.0000000
|
|
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 0.180360E-01 1.0000000
|
|
D 1
|
|
1 0.126115E+03 1.0000000
|
|
D 1
|
|
1 0.229300E+02 1.0000000
|
|
D 1
|
|
1 0.655000E+01 1.0000000
|
|
D 1
|
|
1 0.226000E+01 1.0000000
|
|
D 1
|
|
1 0.810000E+00 1.0000000
|
|
D 1
|
|
1 0.351000E+00 1.0000000
|
|
D 1
|
|
1 0.146000E+00 1.0000000
|
|
D 1
|
|
1 0.541070E-01 1.0000000
|
|
F 1
|
|
1 0.323100E+02 1.0000000
|
|
F 1
|
|
1 0.359000E+01 1.0000000
|
|
F 1
|
|
1 0.840000E+00 1.0000000
|
|
F 1
|
|
1 0.350000E+00 1.0000000
|
|
F 1
|
|
1 0.721420E-01 1.0000000
|
|
G 1
|
|
1 0.176000E+01 1.0000000
|
|
G 1
|
|
1 0.590000E+00 1.0000000
|
|
G 1
|
|
1 0.901780E-01 1.0000000
|
|
H 1
|
|
1 0.950000E+00 1.0000000
|
|
H 1
|
|
1 0.108210E+00 1.0000000
|
|
|
|
CHLORINE
|
|
S 7
|
|
1 0.148425E+09 0.167413E-04
|
|
2 0.742123E+07 0.395461E-03
|
|
3 0.114107E+07 0.320470E-02
|
|
4 0.264425E+06 0.161231E-01
|
|
5 0.757909E+05 0.658835E-01
|
|
6 0.249248E+05 0.211519E+00
|
|
7 0.905259E+04 0.500000E+00
|
|
S 7
|
|
1 0.742123E+07 0.570970E-05
|
|
2 0.114107E+07 0.116320E-04
|
|
3 0.264425E+06 0.130485E-03
|
|
4 0.757909E+05 0.854382E-03
|
|
5 0.249248E+05 0.855044E-02
|
|
6 0.905259E+04 0.659573E-01
|
|
7 0.354813E+04 0.500000E+00
|
|
S 1
|
|
1 0.147798E+04 1.0000000
|
|
S 1
|
|
1 0.647354E+03 1.0000000
|
|
S 1
|
|
1 0.295333E+03 1.0000000
|
|
S 1
|
|
1 0.138978E+03 1.0000000
|
|
S 1
|
|
1 0.675489E+02 1.0000000
|
|
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 0.430460E-01 1.0000000
|
|
P 6
|
|
1 0.717298E+05 0.272419E-04
|
|
2 0.110354E+05 0.550476E-03
|
|
3 0.261153E+04 0.517633E-02
|
|
4 0.848019E+03 0.297097E-01
|
|
5 0.323004E+03 0.136510E+00
|
|
6 0.135328E+03 0.500000E+00
|
|
P 1
|
|
1 0.626841E+02 1.0000000
|
|
P 1
|
|
1 0.302982E+02 1.0000000
|
|
P 1
|
|
1 0.152400E+02 1.0000000
|
|
P 1
|
|
1 0.792595E+01 1.0000000
|
|
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 0.226570E-01 1.0000000
|
|
D 1
|
|
1 0.135465E+03 1.0000000
|
|
D 1
|
|
1 0.246300E+02 1.0000000
|
|
D 1
|
|
1 0.704000E+01 1.0000000
|
|
D 1
|
|
1 0.243000E+01 1.0000000
|
|
D 1
|
|
1 0.870000E+00 1.0000000
|
|
D 1
|
|
1 0.377000E+00 1.0000000
|
|
D 1
|
|
1 0.157000E+00 1.0000000
|
|
D 1
|
|
1 0.679720E-01 1.0000000
|
|
F 1
|
|
1 0.365400E+02 1.0000000
|
|
F 1
|
|
1 0.406000E+01 1.0000000
|
|
F 1
|
|
1 0.950000E+00 1.0000000
|
|
F 1
|
|
1 0.390000E+00 1.0000000
|
|
F 1
|
|
1 0.906290E-01 1.0000000
|
|
G 1
|
|
1 0.197000E+01 1.0000000
|
|
G 1
|
|
1 0.660000E+00 1.0000000
|
|
G 1
|
|
1 0.113290E+00 1.0000000
|
|
H 1
|
|
1 0.104000E+01 1.0000000
|
|
H 1
|
|
1 0.135940E+00 1.0000000
|
|
|
|
ARGON
|
|
S 7
|
|
1 0.188903E+09 0.141389E-04
|
|
2 0.944513E+07 0.358285E-03
|
|
3 0.141413E+07 0.291049E-02
|
|
4 0.321813E+06 0.146809E-01
|
|
5 0.911579E+05 0.624817E-01
|
|
6 0.297428E+05 0.195415E+00
|
|
7 0.107395E+05 0.500000E+00
|
|
S 7
|
|
1 0.944513E+07 0.952800E-06
|
|
2 0.141413E+07 -0.352260E-05
|
|
3 0.321813E+06 0.108384E-03
|
|
4 0.911579E+05 0.373911E-03
|
|
5 0.297428E+05 0.845132E-02
|
|
6 0.107395E+05 0.579014E-01
|
|
7 0.418999E+04 0.500000E+00
|
|
S 1
|
|
1 0.173892E+04 1.0000000
|
|
S 1
|
|
1 0.759285E+03 1.0000000
|
|
S 1
|
|
1 0.345503E+03 1.0000000
|
|
S 1
|
|
1 0.162357E+03 1.0000000
|
|
S 1
|
|
1 0.788881E+02 1.0000000
|
|
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 0.513800E-01 1.0000000
|
|
P 6
|
|
1 0.845397E+05 0.273252E-04
|
|
2 0.130061E+05 0.552339E-03
|
|
3 0.307813E+04 0.519381E-02
|
|
4 0.999564E+03 0.298543E-01
|
|
5 0.380974E+03 0.137201E+00
|
|
6 0.160276E+03 0.500000E+00
|
|
P 1
|
|
1 0.744941E+02 1.0000000
|
|
P 1
|
|
1 0.360649E+02 1.0000000
|
|
P 1
|
|
1 0.181644E+02 1.0000000
|
|
P 1
|
|
1 0.946650E+01 1.0000000
|
|
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 0.277700E-01 1.0000000
|
|
D 1
|
|
1 0.144815E+03 1.0000000
|
|
D 1
|
|
1 0.263300E+02 1.0000000
|
|
D 1
|
|
1 0.753000E+01 1.0000000
|
|
D 1
|
|
1 0.260000E+01 1.0000000
|
|
D 1
|
|
1 0.930000E+00 1.0000000
|
|
D 1
|
|
1 0.410000E+00 1.0000000
|
|
D 1
|
|
1 0.170000E+00 1.0000000
|
|
D 1
|
|
1 0.833100E-01 1.0000000
|
|
F 1
|
|
1 0.407700E+02 1.0000000
|
|
F 1
|
|
1 0.453000E+01 1.0000000
|
|
F 1
|
|
1 0.106000E+01 1.0000000
|
|
F 1
|
|
1 0.440000E+00 1.0000000
|
|
F 1
|
|
1 0.111100E+00 1.0000000
|
|
G 1
|
|
1 0.218000E+01 1.0000000
|
|
G 1
|
|
1 0.730000E+00 1.0000000
|
|
G 1
|
|
1 0.138900E+00 1.0000000
|
|
H 1
|
|
1 0.112000E+01 1.0000000
|
|
H 1
|
|
1 0.166600E+00 1.0000000
|
|
|
|
|