mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 13:53:29 +01:00
1552 lines
50 KiB
Plaintext
1552 lines
50 KiB
Plaintext
HYDROGEN
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S 3
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1 0.122518E+02 0.233371E-01
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2 0.186871E+01 0.159150E+00
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3 0.418208E+00 0.500000E+00
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S 1
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1 0.106100E+00 1.0000000
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S 1
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1 0.265250E-01 1.0000000
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P 2
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1 0.900000E+01 0.203780E-01
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2 0.100000E+01 0.500000E+00
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P 1
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1 0.795750E-01 1.0000000
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HELIUM
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S 3
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1 0.368654E+02 0.273556E-01
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2 0.558021E+01 0.174855E+00
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3 0.119170E+01 0.500000E+00
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S 1
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1 0.268925E+00 1.0000000
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S 1
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1 0.672310E-01 1.0000000
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P 2
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1 0.130500E+02 0.276820E-01
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2 0.145000E+01 0.500000E+00
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P 1
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1 0.201690E+00 1.0000000
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LITHIUM
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S 5
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1 0.266550E+03 0.692856E-02
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2 0.401783E+02 0.510275E-01
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3 0.911212E+01 0.213471E+00
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4 0.245522E+01 0.500000E+00
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5 0.694841E+00 0.458402E+00
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S 2
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1 0.770103E+00 -0.703100E-01
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2 0.778623E-01 0.500000E+00
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S 1
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1 0.284580E-01 1.0000000
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S 1
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1 0.969260E-02 1.0000000
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P 2
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1 0.745603E+01 0.474045E-01
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2 0.114709E+01 0.500000E+00
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P 1
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1 0.213473E+00 1.0000000
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P 1
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1 0.477472E-01 1.0000000
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P 1
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1 0.290780E-01 1.0000000
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BERYLLIUM
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S 5
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1 0.513214E+03 0.644549E-02
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2 0.773054E+02 0.477643E-01
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3 0.175526E+02 0.205052E+00
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4 0.479646E+01 0.500000E+00
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5 0.139666E+01 0.472486E+00
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S 2
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1 0.196613E+01 -0.693660E-01
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2 0.176151E+00 0.500000E+00
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S 1
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1 0.577841E-01 1.0000000
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S 1
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1 0.177880E-01 1.0000000
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P 2
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1 0.116645E+02 0.457034E-01
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2 0.179454E+01 0.500000E+00
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P 1
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1 0.341727E+00 1.0000000
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P 1
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1 0.758162E-01 1.0000000
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P 1
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1 0.533650E-01 1.0000000
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BORON
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S 5
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1 0.838694E+03 0.619052E-02
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2 0.126282E+03 0.460299E-01
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3 0.286810E+02 0.200656E+00
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4 0.788757E+01 0.500000E+00
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5 0.233465E+01 0.477076E+00
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S 2
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1 0.345968E+01 -0.703405E-01
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2 0.317058E+00 0.500000E+00
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S 1
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1 0.993303E-01 1.0000000
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S 1
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1 0.292840E-01 1.0000000
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P 3
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1 0.379997E+02 0.652926E-02
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2 0.584610E+01 0.927467E-01
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3 0.120682E+01 0.500000E+00
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P 1
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1 0.327997E+00 1.0000000
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P 1
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1 0.864963E-01 1.0000000
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P 1
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1 0.216670E-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 0.650020E-01 1.0000000
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CARBON
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S 5
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1 0.124320E+04 0.603366E-02
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2 0.187145E+03 0.449576E-01
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3 0.425126E+02 0.197901E+00
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4 0.117393E+02 0.500000E+00
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5 0.350548E+01 0.480364E+00
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S 2
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1 0.539089E+01 -0.703980E-01
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2 0.493341E+00 0.500000E+00
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S 1
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1 0.149741E+00 1.0000000
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S 1
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1 0.428490E-01 1.0000000
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P 3
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1 0.596736E+02 0.629939E-02
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2 0.918056E+01 0.924897E-01
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3 0.193658E+01 0.500000E+00
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P 1
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1 0.526296E+00 1.0000000
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P 1
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1 0.136319E+00 1.0000000
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P 1
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1 0.340800E-01 1.0000000
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D 1
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1 0.800000E+00 1.0000000
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D 1
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1 0.102240E+00 1.0000000
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NITROGEN
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S 5
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1 0.172632E+04 0.593077E-02
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2 0.259827E+03 0.442539E-01
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3 0.590335E+02 0.196096E+00
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4 0.163509E+02 0.500000E+00
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5 0.491084E+01 0.482987E+00
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S 2
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1 0.775894E+01 -0.703356E-01
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2 0.705573E+00 0.500000E+00
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S 1
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1 0.209286E+00 1.0000000
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S 1
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1 0.586020E-01 1.0000000
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P 3
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1 0.856986E+02 0.615630E-02
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2 0.131844E+02 0.922010E-01
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3 0.281860E+01 0.500000E+00
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P 1
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1 0.765571E+00 1.0000000
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P 1
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1 0.195949E+00 1.0000000
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P 1
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1 0.489870E-01 1.0000000
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D 1
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1 0.900000E+00 1.0000000
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D 1
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1 0.146960E+00 1.0000000
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OXYGEN
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S 5
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1 0.228864E+04 0.585468E-02
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2 0.344416E+03 0.437333E-01
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3 0.782538E+02 0.194796E+00
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4 0.217195E+02 0.500000E+00
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5 0.655907E+01 0.484614E+00
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S 2
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1 0.104656E+02 -0.713343E-01
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2 0.964351E+00 0.500000E+00
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S 1
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1 0.285127E+00 1.0000000
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S 1
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1 0.795960E-01 1.0000000
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P 3
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1 0.110884E+03 0.627538E-02
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2 0.170590E+02 0.943170E-01
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3 0.368999E+01 0.500000E+00
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P 1
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1 0.992996E+00 1.0000000
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P 1
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1 0.244924E+00 1.0000000
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P 1
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1 0.612310E-01 1.0000000
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D 1
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1 0.100000E+01 1.0000000
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D 1
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1 0.183690E+00 1.0000000
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FLUORINE
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S 5
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1 0.293155E+04 0.579504E-02
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2 0.441125E+03 0.433238E-01
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3 0.100232E+03 0.193739E+00
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4 0.278655E+02 0.500000E+00
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5 0.844470E+01 0.486420E+00
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S 2
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1 0.136123E+02 -0.719785E-01
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2 0.126122E+01 0.500000E+00
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S 1
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1 0.370800E+00 1.0000000
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S 1
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1 0.102960E+00 1.0000000
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P 3
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1 0.142548E+03 0.627833E-02
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2 0.219305E+02 0.951660E-01
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3 0.478552E+01 0.500000E+00
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P 1
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1 0.128378E+01 1.0000000
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P 1
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1 0.311558E+00 1.0000000
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P 1
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1 0.778900E-01 1.0000000
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D 1
|
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1 0.110000E+01 1.0000000
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D 1
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1 0.233670E+00 1.0000000
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NEON
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S 5
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1 0.365269E+04 0.575083E-02
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2 0.549598E+03 0.430203E-01
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3 0.124889E+03 0.192958E+00
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4 0.347693E+02 0.500000E+00
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5 0.105643E+02 0.487878E+00
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S 2
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1 0.172034E+02 -0.722200E-01
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2 0.159348E+01 0.500000E+00
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S 1
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1 0.464939E+00 1.0000000
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S 1
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1 0.128180E+00 1.0000000
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P 3
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1 0.179125E+03 0.625061E-02
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2 0.275577E+02 0.954754E-01
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3 0.605034E+01 0.500000E+00
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P 1
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1 0.162110E+01 1.0000000
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P 1
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1 0.390181E+00 1.0000000
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P 1
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1 0.975450E-01 1.0000000
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D 1
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1 0.120000E+01 1.0000000
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D 1
|
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1 0.292640E+00 1.0000000
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SODIUM
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S 7
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1 0.219036E+05 0.796012E-03
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2 0.328624E+04 0.614434E-02
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3 0.748016E+03 0.313507E-01
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4 0.211598E+03 0.119245E+00
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5 0.684819E+02 0.324337E+00
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6 0.242414E+02 0.500000E+00
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7 0.890835E+01 0.277280E+00
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S 3
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1 0.209903E+02 -0.780809E-01
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2 0.200831E+01 0.527383E+00
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3 0.637279E+00 0.500000E+00
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S 1
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1 0.587726E-01 1.0000000
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S 1
|
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1 0.233057E-01 1.0000000
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S 1
|
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1 0.856260E-02 1.0000000
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P 5
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1 0.882297E+03 0.432459E-03
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2 0.135738E+03 0.804650E-02
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3 0.316045E+02 0.615841E-01
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4 0.968275E+01 0.234223E+00
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5 0.336969E+01 0.500000E+00
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P 1
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1 0.117061E+01 1.0000000
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P 1
|
|
1 0.376739E+00 1.0000000
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P 1
|
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1 0.750000E-01 1.0000000
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P 1
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1 0.187500E-01 1.0000000
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|
|
MAGNESIUM
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S 7
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1 0.264576E+05 0.783649E-03
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2 0.396929E+04 0.604998E-02
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3 0.903446E+03 0.308916E-01
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4 0.255556E+03 0.117807E+00
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5 0.827415E+02 0.322294E+00
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6 0.293478E+02 0.500000E+00
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7 0.108238E+02 0.282422E+00
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S 3
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1 0.251406E+02 -0.786240E-01
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2 0.249250E+01 0.518640E+00
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3 0.844000E+00 0.500000E+00
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S 1
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1 0.999808E-01 1.0000000
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S 1
|
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1 0.359920E-01 1.0000000
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S 1
|
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1 0.120870E-01 1.0000000
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P 5
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1 0.115553E+04 0.394937E-03
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2 0.177774E+03 0.742446E-02
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3 0.414783E+02 0.578578E-01
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4 0.128188E+02 0.225242E+00
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5 0.451684E+01 0.500000E+00
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P 1
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1 0.161289E+01 1.0000000
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P 1
|
|
1 0.545656E+00 1.0000000
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P 1
|
|
1 0.135000E+00 1.0000000
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P 1
|
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1 0.337500E-01 1.0000000
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|
ALUMINUM
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S 7
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1 0.314940E+05 0.772030E-03
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2 0.472477E+04 0.596120E-02
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3 0.107542E+04 0.304545E-01
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4 0.304207E+03 0.116415E+00
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5 0.985271E+02 0.320190E+00
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6 0.350075E+02 0.500000E+00
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7 0.129513E+02 0.287564E+00
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S 3
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1 0.297119E+02 -0.804899E-01
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2 0.302931E+01 0.521255E+00
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3 0.107947E+01 0.500000E+00
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S 1
|
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1 0.155844E+00 1.0000000
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S 1
|
|
1 0.558064E-01 1.0000000
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S 1
|
|
1 0.186480E-01 1.0000000
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P 5
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1 0.165426E+04 0.329405E-03
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2 0.254501E+03 0.629777E-02
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3 0.595285E+02 0.505884E-01
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4 0.187001E+02 0.205278E+00
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5 0.673575E+01 0.500000E+00
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P 1
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1 0.250532E+01 1.0000000
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P 1
|
|
1 0.908821E+00 1.0000000
|
|
P 1
|
|
1 0.208782E+00 1.0000000
|
|
P 1
|
|
1 0.571447E-01 1.0000000
|
|
P 1
|
|
1 0.148290E-01 1.0000000
|
|
D 1
|
|
1 0.400000E+00 1.0000000
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|
D 1
|
|
1 0.444870E-01 1.0000000
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|
|
SILICON
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S 7
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|
1 0.369702E+05 0.762250E-03
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2 0.554646E+04 0.588575E-02
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3 0.126245E+04 0.300855E-01
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4 0.357101E+03 0.115237E+00
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5 0.115691E+03 0.318399E+00
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6 0.411635E+02 0.500000E+00
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7 0.152700E+02 0.291837E+00
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S 3
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1 0.347108E+02 -0.827754E-01
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2 0.361250E+01 0.531269E+00
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3 0.133634E+01 0.500000E+00
|
|
S 1
|
|
1 0.218491E+00 1.0000000
|
|
S 1
|
|
1 0.775206E-01 1.0000000
|
|
S 1
|
|
1 0.256820E-01 1.0000000
|
|
P 5
|
|
1 0.202448E+04 0.314741E-03
|
|
2 0.311458E+03 0.604522E-02
|
|
3 0.729687E+02 0.489348E-01
|
|
4 0.230183E+02 0.201434E+00
|
|
5 0.833689E+01 0.500000E+00
|
|
P 1
|
|
1 0.314203E+01 1.0000000
|
|
P 1
|
|
1 0.117179E+01 1.0000000
|
|
P 1
|
|
1 0.292448E+00 1.0000000
|
|
P 1
|
|
1 0.828234E-01 1.0000000
|
|
P 1
|
|
1 0.221990E-01 1.0000000
|
|
D 1
|
|
1 0.450000E+00 1.0000000
|
|
D 1
|
|
1 0.665960E-01 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 7
|
|
1 0.429350E+05 0.752785E-03
|
|
2 0.644096E+04 0.581373E-02
|
|
3 0.146593E+04 0.297343E-01
|
|
4 0.414633E+03 0.114103E+00
|
|
5 0.134352E+03 0.316639E+00
|
|
6 0.478530E+02 0.500000E+00
|
|
7 0.177901E+02 0.295746E+00
|
|
S 3
|
|
1 0.401290E+02 -0.851856E-01
|
|
2 0.424426E+01 0.544565E+00
|
|
3 0.161512E+01 0.500000E+00
|
|
S 1
|
|
1 0.288756E+00 1.0000000
|
|
S 1
|
|
1 0.101283E+00 1.0000000
|
|
S 1
|
|
1 0.331970E-01 1.0000000
|
|
P 5
|
|
1 0.239396E+04 0.307025E-03
|
|
2 0.368301E+03 0.591245E-02
|
|
3 0.863905E+02 0.480852E-01
|
|
4 0.273110E+02 0.199862E+00
|
|
5 0.992546E+01 0.500000E+00
|
|
P 1
|
|
1 0.377674E+01 1.0000000
|
|
P 1
|
|
1 0.143914E+01 1.0000000
|
|
P 1
|
|
1 0.386654E+00 1.0000000
|
|
P 1
|
|
1 0.111644E+00 1.0000000
|
|
P 1
|
|
1 0.304770E-01 1.0000000
|
|
D 1
|
|
1 0.500000E+00 1.0000000
|
|
D 1
|
|
1 0.914300E-01 1.0000000
|
|
|
|
SULFUR
|
|
S 7
|
|
1 0.492971E+05 0.745668E-03
|
|
2 0.739548E+04 0.575894E-02
|
|
3 0.168319E+04 0.294645E-01
|
|
4 0.476105E+03 0.113226E+00
|
|
5 0.154315E+03 0.315276E+00
|
|
6 0.550214E+02 0.500000E+00
|
|
7 0.204998E+02 0.298998E+00
|
|
S 3
|
|
1 0.459609E+02 -0.875226E-01
|
|
2 0.492669E+01 0.558836E+00
|
|
3 0.191703E+01 0.500000E+00
|
|
S 1
|
|
1 0.368255E+00 1.0000000
|
|
S 1
|
|
1 0.129006E+00 1.0000000
|
|
S 1
|
|
1 0.422340E-01 1.0000000
|
|
P 5
|
|
1 0.261711E+04 0.317818E-03
|
|
2 0.402633E+03 0.610879E-02
|
|
3 0.945000E+02 0.495016E-01
|
|
4 0.298029E+02 0.204967E+00
|
|
5 0.108063E+02 0.500000E+00
|
|
P 1
|
|
1 0.411577E+01 1.0000000
|
|
P 1
|
|
1 0.158753E+01 1.0000000
|
|
P 1
|
|
1 0.464477E+00 1.0000000
|
|
P 1
|
|
1 0.132000E+00 1.0000000
|
|
P 1
|
|
1 0.354960E-01 1.0000000
|
|
D 1
|
|
1 0.550000E+00 1.0000000
|
|
D 1
|
|
1 0.106490E+00 1.0000000
|
|
|
|
CHLORINE
|
|
S 7
|
|
1 0.560994E+05 0.739546E-03
|
|
2 0.841587E+04 0.571202E-02
|
|
3 0.191547E+04 0.292323E-01
|
|
4 0.541853E+03 0.112459E+00
|
|
5 0.175685E+03 0.314046E+00
|
|
6 0.627047E+02 0.500000E+00
|
|
7 0.234082E+02 0.301981E+00
|
|
S 3
|
|
1 0.522083E+02 -0.898067E-01
|
|
2 0.565919E+01 0.573660E+00
|
|
3 0.224102E+01 0.500000E+00
|
|
S 1
|
|
1 0.456248E+00 1.0000000
|
|
S 1
|
|
1 0.159554E+00 1.0000000
|
|
S 1
|
|
1 0.521500E-01 1.0000000
|
|
P 5
|
|
1 0.282726E+04 0.330198E-03
|
|
2 0.434964E+03 0.633287E-02
|
|
3 0.102165E+03 0.510518E-01
|
|
4 0.321545E+02 0.210174E+00
|
|
5 0.116187E+02 0.500000E+00
|
|
P 1
|
|
1 0.441005E+01 1.0000000
|
|
P 1
|
|
1 0.168514E+01 1.0000000
|
|
P 1
|
|
1 0.537066E+00 1.0000000
|
|
P 1
|
|
1 0.154770E+00 1.0000000
|
|
P 1
|
|
1 0.421710E-01 1.0000000
|
|
D 1
|
|
1 0.600000E+00 1.0000000
|
|
D 1
|
|
1 0.126510E+00 1.0000000
|
|
|
|
ARGON
|
|
S 7
|
|
1 0.634058E+05 0.733149E-03
|
|
2 0.951181E+04 0.566304E-02
|
|
3 0.216487E+04 0.289918E-01
|
|
4 0.612386E+03 0.111675E+00
|
|
5 0.198580E+03 0.312797E+00
|
|
6 0.709250E+02 0.500000E+00
|
|
7 0.265180E+02 0.304747E+00
|
|
S 3
|
|
1 0.588691E+02 -0.920084E-01
|
|
2 0.644217E+01 0.588503E+00
|
|
3 0.258701E+01 0.500000E+00
|
|
S 1
|
|
1 0.552622E+00 1.0000000
|
|
S 1
|
|
1 0.192427E+00 1.0000000
|
|
S 1
|
|
1 0.626420E-01 1.0000000
|
|
P 5
|
|
1 0.308664E+04 0.338048E-03
|
|
2 0.474868E+03 0.647620E-02
|
|
3 0.111633E+03 0.520317E-01
|
|
4 0.351139E+02 0.213512E+00
|
|
5 0.126630E+02 0.500000E+00
|
|
P 1
|
|
1 0.479610E+01 1.0000000
|
|
P 1
|
|
1 0.179739E+01 1.0000000
|
|
P 1
|
|
1 0.607483E+00 1.0000000
|
|
P 1
|
|
1 0.178842E+00 1.0000000
|
|
P 1
|
|
1 0.497230E-01 1.0000000
|
|
D 1
|
|
1 0.650000E+00 1.0000000
|
|
D 1
|
|
1 0.149170E+00 1.0000000
|
|
|
|
POTASSIUM
|
|
S 6
|
|
1 0.316128E+05 0.192539E-02
|
|
2 0.474738E+04 0.147466E-01
|
|
3 0.108043E+04 0.728766E-01
|
|
4 0.304905E+03 0.250442E+00
|
|
5 0.987833E+02 0.500000E+00
|
|
6 0.337024E+02 0.375710E+00
|
|
S 4
|
|
1 0.654782E+02 -0.840987E-01
|
|
2 0.748392E+01 0.500000E+00
|
|
3 0.320390E+01 0.463897E+00
|
|
4 0.102492E+01 0.508319E-01
|
|
S 2
|
|
1 0.647085E+00 0.500000E+00
|
|
2 0.230286E+00 0.195300E+00
|
|
S 1
|
|
1 0.375852E-01 1.0000000
|
|
S 1
|
|
1 0.141834E-01 1.0000000
|
|
S 1
|
|
1 0.497670E-02 1.0000000
|
|
P 5
|
|
1 0.383800E+04 0.305590E-03
|
|
2 0.590462E+03 0.589860E-02
|
|
3 0.138921E+03 0.481396E-01
|
|
4 0.439759E+02 0.202660E+00
|
|
5 0.160211E+02 0.500000E+00
|
|
P 1
|
|
1 0.617957E+01 1.0000000
|
|
P 1
|
|
1 0.242323E+01 1.0000000
|
|
P 1
|
|
1 0.822299E+00 1.0000000
|
|
P 1
|
|
1 0.259035E+00 1.0000000
|
|
P 1
|
|
1 0.496000E-01 1.0000000
|
|
P 1
|
|
1 0.124000E-01 1.0000000
|
|
D 2
|
|
1 0.665202E+01 0.129149E+00
|
|
2 0.161238E+01 0.500000E+00
|
|
D 1
|
|
1 0.429003E+00 1.0000000
|
|
D 1
|
|
1 0.973407E-01 1.0000000
|
|
D 1
|
|
1 0.243350E-01 1.0000000
|
|
|
|
CALCIUM
|
|
S 6
|
|
1 0.352777E+05 0.191272E-02
|
|
2 0.529766E+04 0.146519E-01
|
|
3 0.120565E+04 0.724606E-01
|
|
4 0.340280E+03 0.249542E+00
|
|
5 0.110327E+03 0.500000E+00
|
|
6 0.376886E+02 0.378880E+00
|
|
S 4
|
|
1 0.729156E+02 -0.831354E-01
|
|
2 0.838557E+01 0.500000E+00
|
|
3 0.362663E+01 0.456000E+00
|
|
4 0.113034E+01 0.506177E-01
|
|
S 2
|
|
1 0.777488E+00 0.500000E+00
|
|
2 0.300122E+00 0.198780E+00
|
|
S 1
|
|
1 0.610886E-01 1.0000000
|
|
S 1
|
|
1 0.232493E-01 1.0000000
|
|
S 1
|
|
1 0.822240E-02 1.0000000
|
|
P 5
|
|
1 0.463019E+04 0.283668E-03
|
|
2 0.712336E+03 0.550469E-02
|
|
3 0.167732E+03 0.454136E-01
|
|
4 0.533429E+02 0.194949E+00
|
|
5 0.195653E+02 0.500000E+00
|
|
P 1
|
|
1 0.763854E+01 1.0000000
|
|
P 1
|
|
1 0.306507E+01 1.0000000
|
|
P 1
|
|
1 0.104895E+01 1.0000000
|
|
P 1
|
|
1 0.346526E+00 1.0000000
|
|
P 1
|
|
1 0.668000E-01 1.0000000
|
|
P 1
|
|
1 0.167000E-01 1.0000000
|
|
D 2
|
|
1 0.830114E+01 0.126032E+00
|
|
2 0.204947E+01 0.500000E+00
|
|
D 1
|
|
1 0.561615E+00 1.0000000
|
|
D 1
|
|
1 0.132559E+00 1.0000000
|
|
D 1
|
|
1 0.331400E-01 1.0000000
|
|
|
|
SCANDIUM
|
|
S 6
|
|
1 0.391019E+05 0.190342E-02
|
|
2 0.587187E+04 0.145824E-01
|
|
3 0.133631E+04 0.721564E-01
|
|
4 0.377193E+03 0.248907E+00
|
|
5 0.122367E+03 0.500000E+00
|
|
6 0.418513E+02 0.380992E+00
|
|
S 4
|
|
1 0.808226E+02 -0.827634E-01
|
|
2 0.934895E+01 0.500000E+00
|
|
3 0.407644E+01 0.444982E+00
|
|
4 0.129160E+01 0.500934E-01
|
|
S 2
|
|
1 0.905868E+00 0.500000E+00
|
|
2 0.350602E+00 0.202234E+00
|
|
S 1
|
|
1 0.713593E-01 1.0000000
|
|
S 1
|
|
1 0.269181E-01 1.0000000
|
|
S 1
|
|
1 0.944170E-02 1.0000000
|
|
P 5
|
|
1 0.522487E+04 0.277833E-03
|
|
2 0.803826E+03 0.540046E-02
|
|
3 0.189374E+03 0.447015E-01
|
|
4 0.603093E+02 0.193210E+00
|
|
5 0.221664E+02 0.500000E+00
|
|
P 1
|
|
1 0.869039E+01 1.0000000
|
|
P 1
|
|
1 0.350878E+01 1.0000000
|
|
P 1
|
|
1 0.121803E+01 1.0000000
|
|
P 1
|
|
1 0.405783E+00 1.0000000
|
|
P 1
|
|
1 0.780000E-01 1.0000000
|
|
P 1
|
|
1 0.195000E-01 1.0000000
|
|
D 4
|
|
1 0.287045E+02 0.176635E-01
|
|
2 0.802170E+01 0.101759E+00
|
|
3 0.265583E+01 0.305587E+00
|
|
4 0.938740E+00 0.500000E+00
|
|
D 1
|
|
1 0.310075E+00 1.0000000
|
|
D 1
|
|
1 0.934946E-01 1.0000000
|
|
D 1
|
|
1 0.265870E-01 1.0000000
|
|
F 1
|
|
1 0.931000E+00 1.0000000
|
|
F 1
|
|
1 0.780000E-01 1.0000000
|
|
|
|
TITANIUM
|
|
S 6
|
|
1 0.431217E+05 0.189506E-02
|
|
2 0.647542E+04 0.145199E-01
|
|
3 0.147365E+04 0.718831E-01
|
|
4 0.415993E+03 0.248339E+00
|
|
5 0.135027E+03 0.500000E+00
|
|
6 0.462319E+02 0.382871E+00
|
|
S 4
|
|
1 0.891494E+02 -0.823932E-01
|
|
2 0.103668E+02 0.500000E+00
|
|
3 0.455092E+01 0.435267E+00
|
|
4 0.146251E+01 0.494971E-01
|
|
S 2
|
|
1 0.104144E+01 0.500000E+00
|
|
2 0.405984E+00 0.207833E+00
|
|
S 1
|
|
1 0.817618E-01 1.0000000
|
|
S 1
|
|
1 0.309338E-01 1.0000000
|
|
S 1
|
|
1 0.108800E-01 1.0000000
|
|
P 5
|
|
1 0.584924E+04 0.272949E-03
|
|
2 0.899883E+03 0.531296E-02
|
|
3 0.212100E+03 0.441028E-01
|
|
4 0.676246E+02 0.191766E+00
|
|
5 0.248990E+02 0.500000E+00
|
|
P 1
|
|
1 0.979624E+01 1.0000000
|
|
P 1
|
|
1 0.397530E+01 1.0000000
|
|
P 1
|
|
1 0.139508E+01 1.0000000
|
|
P 1
|
|
1 0.468151E+00 1.0000000
|
|
P 1
|
|
1 0.900000E-01 1.0000000
|
|
P 1
|
|
1 0.225000E-01 1.0000000
|
|
D 4
|
|
1 0.362238E+02 0.160786E-01
|
|
2 0.102124E+02 0.967203E-01
|
|
3 0.343925E+01 0.298113E+00
|
|
4 0.124897E+01 0.500000E+00
|
|
D 1
|
|
1 0.429924E+00 1.0000000
|
|
D 1
|
|
1 0.131721E+00 1.0000000
|
|
D 1
|
|
1 0.380270E-01 1.0000000
|
|
F 1
|
|
1 0.102500E+01 1.0000000
|
|
F 1
|
|
1 0.900000E-01 1.0000000
|
|
|
|
VANADIUM
|
|
S 6
|
|
1 0.473311E+05 0.188778E-02
|
|
2 0.710748E+04 0.144653E-01
|
|
3 0.161748E+04 0.716446E-01
|
|
4 0.456627E+03 0.247846E+00
|
|
5 0.148287E+03 0.500000E+00
|
|
6 0.508244E+02 0.384471E+00
|
|
S 4
|
|
1 0.979091E+02 -0.820959E-01
|
|
2 0.114388E+02 0.500000E+00
|
|
3 0.504667E+01 0.425986E+00
|
|
4 0.164987E+01 0.485597E-01
|
|
S 2
|
|
1 0.118471E+01 0.500000E+00
|
|
2 0.462699E+00 0.215291E+00
|
|
S 1
|
|
1 0.913843E-01 1.0000000
|
|
S 1
|
|
1 0.344918E-01 1.0000000
|
|
S 1
|
|
1 0.121050E-01 1.0000000
|
|
P 5
|
|
1 0.648113E+04 0.269547E-03
|
|
2 0.997097E+03 0.525218E-02
|
|
3 0.235102E+03 0.436911E-01
|
|
4 0.750203E+02 0.190852E+00
|
|
5 0.276582E+02 0.500000E+00
|
|
P 1
|
|
1 0.109102E+02 1.0000000
|
|
P 1
|
|
1 0.444252E+01 1.0000000
|
|
P 1
|
|
1 0.157227E+01 1.0000000
|
|
P 1
|
|
1 0.528990E+00 1.0000000
|
|
P 1
|
|
1 0.101000E+00 1.0000000
|
|
P 1
|
|
1 0.252500E-01 1.0000000
|
|
D 4
|
|
1 0.421982E+02 0.158371E-01
|
|
2 0.119617E+02 0.968211E-01
|
|
3 0.406721E+01 0.299226E+00
|
|
4 0.148987E+01 0.500000E+00
|
|
D 1
|
|
1 0.517599E+00 1.0000000
|
|
D 1
|
|
1 0.158984E+00 1.0000000
|
|
D 1
|
|
1 0.460070E-01 1.0000000
|
|
F 1
|
|
1 0.112700E+01 1.0000000
|
|
F 1
|
|
1 0.101000E+00 1.0000000
|
|
|
|
CHROMIUM
|
|
S 6
|
|
1 0.517154E+05 0.188210E-02
|
|
2 0.776583E+04 0.144226E-01
|
|
3 0.176733E+04 0.714573E-01
|
|
4 0.498983E+03 0.247464E+00
|
|
5 0.162124E+03 0.500000E+00
|
|
6 0.556257E+02 0.385807E+00
|
|
S 4
|
|
1 0.107094E+03 -0.818400E-01
|
|
2 0.125651E+02 0.500000E+00
|
|
3 0.556555E+01 0.417624E+00
|
|
4 0.184957E+01 0.475968E-01
|
|
S 2
|
|
1 0.133582E+01 0.500000E+00
|
|
2 0.522075E+00 0.222837E+00
|
|
S 1
|
|
1 0.101132E+00 1.0000000
|
|
S 1
|
|
1 0.379404E-01 1.0000000
|
|
S 1
|
|
1 0.132400E-01 1.0000000
|
|
P 5
|
|
1 0.713912E+04 0.266670E-03
|
|
2 0.109833E+04 0.520083E-02
|
|
3 0.259058E+03 0.433432E-01
|
|
4 0.827235E+02 0.190097E+00
|
|
5 0.305325E+02 0.500000E+00
|
|
P 1
|
|
1 0.120700E+02 1.0000000
|
|
P 1
|
|
1 0.492803E+01 1.0000000
|
|
P 1
|
|
1 0.175545E+01 1.0000000
|
|
P 1
|
|
1 0.591437E+00 1.0000000
|
|
P 1
|
|
1 0.113000E+00 1.0000000
|
|
P 1
|
|
1 0.282500E-01 1.0000000
|
|
D 4
|
|
1 0.478920E+02 0.158977E-01
|
|
2 0.136337E+02 0.980452E-01
|
|
3 0.466841E+01 0.302328E+00
|
|
4 0.171717E+01 0.500000E+00
|
|
D 1
|
|
1 0.598174E+00 1.0000000
|
|
D 1
|
|
1 0.183039E+00 1.0000000
|
|
D 1
|
|
1 0.527790E-01 1.0000000
|
|
F 1
|
|
1 0.124000E+01 1.0000000
|
|
F 1
|
|
1 0.113000E+00 1.0000000
|
|
|
|
MANGANESE
|
|
S 6
|
|
1 0.563228E+05 0.187564E-02
|
|
2 0.845756E+04 0.143746E-01
|
|
3 0.192472E+04 0.712472E-01
|
|
4 0.543438E+03 0.247029E+00
|
|
5 0.176629E+03 0.500000E+00
|
|
6 0.606530E+02 0.387114E+00
|
|
S 4
|
|
1 0.116703E+03 -0.816209E-01
|
|
2 0.137458E+02 0.500000E+00
|
|
3 0.610683E+01 0.410075E+00
|
|
4 0.205997E+01 0.465684E-01
|
|
S 2
|
|
1 0.149424E+01 0.500000E+00
|
|
2 0.583817E+00 0.230491E+00
|
|
S 1
|
|
1 0.110571E+00 1.0000000
|
|
S 1
|
|
1 0.412415E-01 1.0000000
|
|
S 1
|
|
1 0.143150E-01 1.0000000
|
|
P 5
|
|
1 0.782781E+04 0.264085E-03
|
|
2 0.120428E+04 0.515448E-02
|
|
3 0.284127E+03 0.430318E-01
|
|
4 0.907821E+02 0.189434E+00
|
|
5 0.335404E+02 0.500000E+00
|
|
P 1
|
|
1 0.132838E+02 1.0000000
|
|
P 1
|
|
1 0.543552E+01 1.0000000
|
|
P 1
|
|
1 0.194499E+01 1.0000000
|
|
P 1
|
|
1 0.655426E+00 1.0000000
|
|
P 1
|
|
1 0.125000E+00 1.0000000
|
|
P 1
|
|
1 0.312500E-01 1.0000000
|
|
D 4
|
|
1 0.543935E+02 0.157347E-01
|
|
2 0.155491E+02 0.980587E-01
|
|
3 0.536115E+01 0.303221E+00
|
|
4 0.198356E+01 0.500000E+00
|
|
D 1
|
|
1 0.695015E+00 1.0000000
|
|
D 1
|
|
1 0.213292E+00 1.0000000
|
|
D 1
|
|
1 0.616720E-01 1.0000000
|
|
F 1
|
|
1 0.136400E+01 1.0000000
|
|
F 1
|
|
1 0.125000E+00 1.0000000
|
|
|
|
IRON
|
|
S 6
|
|
1 0.611165E+05 0.187010E-02
|
|
2 0.917731E+04 0.143331E-01
|
|
3 0.208848E+04 0.710668E-01
|
|
4 0.589696E+03 0.246663E+00
|
|
5 0.191730E+03 0.500000E+00
|
|
6 0.658926E+02 0.388259E+00
|
|
S 4
|
|
1 0.126733E+03 -0.813904E-01
|
|
2 0.149790E+02 0.500000E+00
|
|
3 0.667178E+01 0.403189E+00
|
|
4 0.228162E+01 0.456041E-01
|
|
S 2
|
|
1 0.166071E+01 0.500000E+00
|
|
2 0.649365E+00 0.235518E+00
|
|
S 1
|
|
1 0.117741E+00 1.0000000
|
|
S 1
|
|
1 0.427355E-01 1.0000000
|
|
S 1
|
|
1 0.144620E-01 1.0000000
|
|
P 5
|
|
1 0.856845E+04 0.261299E-03
|
|
2 0.131822E+04 0.510432E-02
|
|
3 0.311103E+03 0.426858E-01
|
|
4 0.994723E+02 0.188622E+00
|
|
5 0.367929E+02 0.500000E+00
|
|
P 1
|
|
1 0.146010E+02 1.0000000
|
|
P 1
|
|
1 0.598934E+01 1.0000000
|
|
P 1
|
|
1 0.215086E+01 1.0000000
|
|
P 1
|
|
1 0.726457E+00 1.0000000
|
|
P 1
|
|
1 0.138000E+00 1.0000000
|
|
P 1
|
|
1 0.345000E-01 1.0000000
|
|
D 4
|
|
1 0.593103E+02 0.163520E-01
|
|
2 0.169916E+02 0.101815E+00
|
|
3 0.587822E+01 0.310494E+00
|
|
4 0.217030E+01 0.500000E+00
|
|
D 1
|
|
1 0.754660E+00 1.0000000
|
|
D 1
|
|
1 0.227909E+00 1.0000000
|
|
D 1
|
|
1 0.649090E-01 1.0000000
|
|
F 1
|
|
1 0.150000E+01 1.0000000
|
|
F 1
|
|
1 0.138000E+00 1.0000000
|
|
|
|
COBALT
|
|
S 6
|
|
1 0.661042E+05 0.186498E-02
|
|
2 0.992613E+04 0.142950E-01
|
|
3 0.225884E+04 0.709016E-01
|
|
4 0.637811E+03 0.246333E+00
|
|
5 0.207436E+03 0.500000E+00
|
|
6 0.713450E+02 0.389257E+00
|
|
S 4
|
|
1 0.137187E+03 -0.811900E-01
|
|
2 0.162662E+02 0.500000E+00
|
|
3 0.725898E+01 0.396901E+00
|
|
4 0.251398E+01 0.446290E-01
|
|
S 2
|
|
1 0.183485E+01 0.500000E+00
|
|
2 0.717105E+00 0.241029E+00
|
|
S 1
|
|
1 0.124799E+00 1.0000000
|
|
S 1
|
|
1 0.442178E-01 1.0000000
|
|
S 1
|
|
1 0.146300E-01 1.0000000
|
|
P 5
|
|
1 0.933713E+04 0.258869E-03
|
|
2 0.143648E+04 0.506042E-02
|
|
3 0.339092E+03 0.423871E-01
|
|
4 0.108483E+03 0.187945E+00
|
|
5 0.401655E+02 0.500000E+00
|
|
P 1
|
|
1 0.159669E+02 1.0000000
|
|
P 1
|
|
1 0.656305E+01 1.0000000
|
|
P 1
|
|
1 0.236325E+01 1.0000000
|
|
P 1
|
|
1 0.798876E+00 1.0000000
|
|
P 1
|
|
1 0.151000E+00 1.0000000
|
|
P 1
|
|
1 0.377500E-01 1.0000000
|
|
D 4
|
|
1 0.655299E+02 0.165138E-01
|
|
2 0.188212E+02 0.103347E+00
|
|
3 0.653978E+01 0.313551E+00
|
|
4 0.241887E+01 0.500000E+00
|
|
D 1
|
|
1 0.840384E+00 1.0000000
|
|
D 1
|
|
1 0.252579E+00 1.0000000
|
|
D 1
|
|
1 0.716090E-01 1.0000000
|
|
F 1
|
|
1 0.165000E+01 1.0000000
|
|
F 1
|
|
1 0.151000E+00 1.0000000
|
|
|
|
NICKEL
|
|
S 6
|
|
1 0.712776E+05 0.186062E-02
|
|
2 0.107030E+05 0.142622E-01
|
|
3 0.243563E+04 0.707583E-01
|
|
4 0.687764E+03 0.246039E+00
|
|
5 0.223754E+03 0.500000E+00
|
|
6 0.770149E+02 0.390178E+00
|
|
S 4
|
|
1 0.148063E+03 -0.810299E-01
|
|
2 0.176085E+02 0.500000E+00
|
|
3 0.787091E+01 0.391326E+00
|
|
4 0.275887E+01 0.437689E-01
|
|
S 2
|
|
1 0.201683E+01 0.500000E+00
|
|
2 0.787314E+00 0.246274E+00
|
|
S 1
|
|
1 0.132475E+00 1.0000000
|
|
S 1
|
|
1 0.460546E-01 1.0000000
|
|
S 1
|
|
1 0.149700E-01 1.0000000
|
|
P 5
|
|
1 0.101365E+05 0.256694E-03
|
|
2 0.155947E+04 0.502128E-02
|
|
3 0.368222E+03 0.421153E-01
|
|
4 0.117869E+03 0.187321E+00
|
|
5 0.436793E+02 0.500000E+00
|
|
P 1
|
|
1 0.173900E+02 1.0000000
|
|
P 1
|
|
1 0.716086E+01 1.0000000
|
|
P 1
|
|
1 0.258400E+01 1.0000000
|
|
P 1
|
|
1 0.873795E+00 1.0000000
|
|
P 1
|
|
1 0.165000E+00 1.0000000
|
|
P 1
|
|
1 0.412500E-01 1.0000000
|
|
D 4
|
|
1 0.719340E+02 0.166761E-01
|
|
2 0.207091E+02 0.104771E+00
|
|
3 0.722211E+01 0.316425E+00
|
|
4 0.267409E+01 0.500000E+00
|
|
D 1
|
|
1 0.927985E+00 1.0000000
|
|
D 1
|
|
1 0.277485E+00 1.0000000
|
|
D 1
|
|
1 0.782910E-01 1.0000000
|
|
F 1
|
|
1 0.181500E+01 1.0000000
|
|
F 1
|
|
1 0.165000E+00 1.0000000
|
|
|
|
COPPER
|
|
S 6
|
|
1 0.766434E+05 0.185667E-02
|
|
2 0.115087E+05 0.142325E-01
|
|
3 0.261900E+04 0.706267E-01
|
|
4 0.739592E+03 0.245769E+00
|
|
5 0.240688E+03 0.500000E+00
|
|
6 0.829016E+02 0.391023E+00
|
|
S 4
|
|
1 0.159362E+03 -0.808960E-01
|
|
2 0.190056E+02 0.500000E+00
|
|
3 0.850680E+01 0.386348E+00
|
|
4 0.301390E+01 0.429900E-01
|
|
S 2
|
|
1 0.220678E+01 0.500000E+00
|
|
2 0.860259E+00 0.251263E+00
|
|
S 1
|
|
1 0.140800E+00 1.0000000
|
|
S 1
|
|
1 0.482331E-01 1.0000000
|
|
S 1
|
|
1 0.154640E-01 1.0000000
|
|
P 5
|
|
1 0.109695E+05 0.254645E-03
|
|
2 0.168761E+04 0.498470E-02
|
|
3 0.398546E+03 0.418661E-01
|
|
4 0.127635E+03 0.186756E+00
|
|
5 0.473370E+02 0.500000E+00
|
|
P 1
|
|
1 0.188716E+02 1.0000000
|
|
P 1
|
|
1 0.778334E+01 1.0000000
|
|
P 1
|
|
1 0.281326E+01 1.0000000
|
|
P 1
|
|
1 0.951337E+00 1.0000000
|
|
P 1
|
|
1 0.180000E+00 1.0000000
|
|
P 1
|
|
1 0.450000E-01 1.0000000
|
|
D 4
|
|
1 0.784801E+02 0.168618E-01
|
|
2 0.226413E+02 0.106222E+00
|
|
3 0.792100E+01 0.319284E+00
|
|
4 0.293463E+01 0.500000E+00
|
|
D 1
|
|
1 0.101696E+01 1.0000000
|
|
D 1
|
|
1 0.302410E+00 1.0000000
|
|
D 1
|
|
1 0.848790E-01 1.0000000
|
|
F 1
|
|
1 0.199700E+01 1.0000000
|
|
F 1
|
|
1 0.180000E+00 1.0000000
|
|
|
|
ZINC
|
|
S 6
|
|
1 0.821882E+05 0.185336E-02
|
|
2 0.123412E+05 0.142080E-01
|
|
3 0.280844E+04 0.705201E-01
|
|
4 0.793134E+03 0.245558E+00
|
|
5 0.258191E+03 0.500000E+00
|
|
6 0.889941E+02 0.391713E+00
|
|
S 4
|
|
1 0.171084E+03 -0.807709E-01
|
|
2 0.204559E+02 0.500000E+00
|
|
3 0.916434E+01 0.381695E+00
|
|
4 0.327892E+01 0.421722E-01
|
|
S 2
|
|
1 0.240405E+01 0.500000E+00
|
|
2 0.935180E+00 0.256188E+00
|
|
S 1
|
|
1 0.148956E+00 1.0000000
|
|
S 1
|
|
1 0.504358E-01 1.0000000
|
|
S 1
|
|
1 0.159940E-01 1.0000000
|
|
P 5
|
|
1 0.118335E+05 0.252805E-03
|
|
2 0.182054E+04 0.495110E-02
|
|
3 0.430021E+03 0.416354E-01
|
|
4 0.137772E+03 0.186234E+00
|
|
5 0.511331E+02 0.500000E+00
|
|
P 1
|
|
1 0.204087E+02 1.0000000
|
|
P 1
|
|
1 0.842852E+01 1.0000000
|
|
P 1
|
|
1 0.304974E+01 1.0000000
|
|
P 1
|
|
1 0.103067E+01 1.0000000
|
|
P 1
|
|
1 0.195000E+00 1.0000000
|
|
P 1
|
|
1 0.487500E-01 1.0000000
|
|
D 4
|
|
1 0.855731E+02 0.169409E-01
|
|
2 0.247392E+02 0.107081E+00
|
|
3 0.868190E+01 0.321154E+00
|
|
4 0.322065E+01 0.500000E+00
|
|
D 1
|
|
1 0.111613E+01 1.0000000
|
|
D 1
|
|
1 0.331084E+00 1.0000000
|
|
D 1
|
|
1 0.927110E-01 1.0000000
|
|
F 1
|
|
1 0.219600E+01 1.0000000
|
|
F 1
|
|
1 0.195000E+00 1.0000000
|
|
|
|
GALLIUM
|
|
S 6
|
|
1 0.880370E+05 0.184792E-02
|
|
2 0.132193E+05 0.141672E-01
|
|
3 0.300821E+04 0.703411E-01
|
|
4 0.849555E+03 0.245170E+00
|
|
5 0.276627E+03 0.500000E+00
|
|
6 0.954021E+02 0.393020E+00
|
|
S 4
|
|
1 0.183188E+03 -0.804690E-01
|
|
2 0.219560E+02 0.500000E+00
|
|
3 0.985114E+01 0.378451E+00
|
|
4 0.348510E+01 0.422634E-01
|
|
S 2
|
|
1 0.260742E+01 0.500000E+00
|
|
2 0.103643E+01 0.254718E+00
|
|
S 1
|
|
1 0.188486E+00 1.0000000
|
|
S 1
|
|
1 0.663103E-01 1.0000000
|
|
S 1
|
|
1 0.217950E-01 1.0000000
|
|
P 5
|
|
1 0.147583E+05 0.224515E-03
|
|
2 0.227051E+04 0.442538E-02
|
|
3 0.536782E+03 0.377145E-01
|
|
4 0.172852E+03 0.173937E+00
|
|
5 0.645850E+02 0.500000E+00
|
|
P 1
|
|
1 0.261086E+02 1.0000000
|
|
P 1
|
|
1 0.110052E+02 1.0000000
|
|
P 1
|
|
1 0.396779E+01 1.0000000
|
|
P 1
|
|
1 0.140669E+01 1.0000000
|
|
P 1
|
|
1 0.299200E+00 1.0000000
|
|
P 1
|
|
1 0.733630E-01 1.0000000
|
|
P 1
|
|
1 0.183410E-01 1.0000000
|
|
D 5
|
|
1 0.101281E+03 0.153819E-01
|
|
2 0.294141E+02 0.100582E+00
|
|
3 0.104458E+02 0.312506E+00
|
|
4 0.396319E+01 0.510719E+00
|
|
5 0.142815E+01 0.500000E+00
|
|
D 1
|
|
1 0.453687E+00 1.0000000
|
|
D 1
|
|
1 0.151000E+00 1.0000000
|
|
D 1
|
|
1 0.471210E-01 1.0000000
|
|
|
|
GERMANIUM
|
|
S 6
|
|
1 0.940750E+05 0.184313E-02
|
|
2 0.141259E+05 0.141311E-01
|
|
3 0.321453E+04 0.701809E-01
|
|
4 0.907858E+03 0.244816E+00
|
|
5 0.295690E+03 0.500000E+00
|
|
6 0.102033E+03 0.394240E+00
|
|
S 4
|
|
1 0.195700E+03 -0.801708E-01
|
|
2 0.235087E+02 0.500000E+00
|
|
3 0.105661E+02 0.375364E+00
|
|
4 0.370547E+01 0.426290E-01
|
|
S 2
|
|
1 0.281813E+01 0.500000E+00
|
|
2 0.114053E+01 0.248797E+00
|
|
S 1
|
|
1 0.230928E+00 1.0000000
|
|
S 1
|
|
1 0.827973E-01 1.0000000
|
|
S 1
|
|
1 0.277000E-01 1.0000000
|
|
P 5
|
|
1 0.161091E+05 0.220354E-03
|
|
2 0.247832E+04 0.434781E-02
|
|
3 0.586047E+03 0.371371E-01
|
|
4 0.188847E+03 0.172234E+00
|
|
5 0.706328E+02 0.500000E+00
|
|
P 1
|
|
1 0.286084E+02 1.0000000
|
|
P 1
|
|
1 0.120892E+02 1.0000000
|
|
P 1
|
|
1 0.437604E+01 1.0000000
|
|
P 1
|
|
1 0.157638E+01 1.0000000
|
|
P 1
|
|
1 0.342973E+00 1.0000000
|
|
P 1
|
|
1 0.938118E-01 1.0000000
|
|
P 1
|
|
1 0.243290E-01 1.0000000
|
|
D 5
|
|
1 0.117163E+03 0.138385E-01
|
|
2 0.341547E+02 0.928186E-01
|
|
3 0.122438E+02 0.296360E+00
|
|
4 0.471988E+01 0.502921E+00
|
|
5 0.174982E+01 0.500000E+00
|
|
D 1
|
|
1 0.581837E+00 1.0000000
|
|
D 1
|
|
1 0.194000E+00 1.0000000
|
|
D 1
|
|
1 0.606410E-01 1.0000000
|
|
|
|
ARSENIC
|
|
S 6
|
|
1 0.100324E+06 0.183850E-02
|
|
2 0.150639E+05 0.140967E-01
|
|
3 0.342796E+04 0.700273E-01
|
|
4 0.968173E+03 0.244475E+00
|
|
5 0.315417E+03 0.500000E+00
|
|
6 0.108898E+03 0.395450E+00
|
|
S 4
|
|
1 0.208618E+03 -0.798781E-01
|
|
2 0.251147E+02 0.500000E+00
|
|
3 0.113072E+02 0.372569E+00
|
|
4 0.392952E+01 0.431529E-01
|
|
S 2
|
|
1 0.303724E+01 0.500000E+00
|
|
2 0.124684E+01 0.240180E+00
|
|
S 1
|
|
1 0.276434E+00 1.0000000
|
|
S 1
|
|
1 0.998483E-01 1.0000000
|
|
S 1
|
|
1 0.336350E-01 1.0000000
|
|
P 5
|
|
1 0.175122E+05 0.216613E-03
|
|
2 0.269418E+04 0.427729E-02
|
|
3 0.637278E+03 0.366066E-01
|
|
4 0.205469E+03 0.170675E+00
|
|
5 0.769099E+02 0.500000E+00
|
|
P 1
|
|
1 0.312011E+02 1.0000000
|
|
P 1
|
|
1 0.132151E+02 1.0000000
|
|
P 1
|
|
1 0.480437E+01 1.0000000
|
|
P 1
|
|
1 0.175949E+01 1.0000000
|
|
P 1
|
|
1 0.392791E+00 1.0000000
|
|
P 1
|
|
1 0.113912E+00 1.0000000
|
|
P 1
|
|
1 0.312240E-01 1.0000000
|
|
D 5
|
|
1 0.133722E+03 0.126475E-01
|
|
2 0.391092E+02 0.866115E-01
|
|
3 0.141330E+02 0.282955E+00
|
|
4 0.551776E+01 0.495758E+00
|
|
5 0.209257E+01 0.500000E+00
|
|
D 1
|
|
1 0.719886E+00 1.0000000
|
|
D 1
|
|
1 0.238000E+00 1.0000000
|
|
D 1
|
|
1 0.738050E-01 1.0000000
|
|
|
|
SELENIUM
|
|
S 6
|
|
1 0.106786E+06 0.183388E-02
|
|
2 0.160345E+05 0.140617E-01
|
|
3 0.364881E+04 0.698728E-01
|
|
4 0.103058E+04 0.244127E+00
|
|
5 0.335825E+03 0.500000E+00
|
|
6 0.115997E+03 0.396652E+00
|
|
S 4
|
|
1 0.221950E+03 -0.795968E-01
|
|
2 0.267750E+02 0.500000E+00
|
|
3 0.120789E+02 0.369993E+00
|
|
4 0.416852E+01 0.439459E-01
|
|
S 2
|
|
1 0.326553E+01 0.500000E+00
|
|
2 0.135505E+01 0.230176E+00
|
|
S 1
|
|
1 0.326263E+00 1.0000000
|
|
S 1
|
|
1 0.118380E+00 1.0000000
|
|
S 1
|
|
1 0.400460E-01 1.0000000
|
|
P 5
|
|
1 0.189350E+05 0.213430E-03
|
|
2 0.291308E+04 0.421839E-02
|
|
3 0.689101E+03 0.361715E-01
|
|
4 0.222264E+03 0.169407E+00
|
|
5 0.832517E+02 0.500000E+00
|
|
P 1
|
|
1 0.338207E+02 1.0000000
|
|
P 1
|
|
1 0.143563E+02 1.0000000
|
|
P 1
|
|
1 0.524317E+01 1.0000000
|
|
P 1
|
|
1 0.195274E+01 1.0000000
|
|
P 1
|
|
1 0.451805E+00 1.0000000
|
|
P 1
|
|
1 0.129671E+00 1.0000000
|
|
P 1
|
|
1 0.351960E-01 1.0000000
|
|
D 5
|
|
1 0.150393E+03 0.118064E-01
|
|
2 0.441007E+02 0.821982E-01
|
|
3 0.160375E+02 0.273564E+00
|
|
4 0.632038E+01 0.491298E+00
|
|
5 0.243848E+01 0.500000E+00
|
|
D 1
|
|
1 0.861515E+00 1.0000000
|
|
D 1
|
|
1 0.287000E+00 1.0000000
|
|
D 1
|
|
1 0.896370E-01 1.0000000
|
|
|
|
BROMINE
|
|
S 6
|
|
1 0.113451E+06 0.182955E-02
|
|
2 0.170350E+05 0.140294E-01
|
|
3 0.387649E+04 0.697279E-01
|
|
4 0.109493E+04 0.243800E+00
|
|
5 0.356873E+03 0.500000E+00
|
|
6 0.123323E+03 0.397787E+00
|
|
S 4
|
|
1 0.235685E+03 -0.793375E-01
|
|
2 0.284902E+02 0.500000E+00
|
|
3 0.128794E+02 0.367714E+00
|
|
4 0.441726E+01 0.448635E-01
|
|
S 2
|
|
1 0.350422E+01 0.500000E+00
|
|
2 0.146486E+01 0.219755E+00
|
|
S 1
|
|
1 0.379466E+00 1.0000000
|
|
S 1
|
|
1 0.138320E+00 1.0000000
|
|
S 1
|
|
1 0.469930E-01 1.0000000
|
|
P 5
|
|
1 0.204303E+05 0.210448E-03
|
|
2 0.314313E+04 0.416240E-02
|
|
3 0.743629E+03 0.357538E-01
|
|
4 0.239944E+03 0.168181E+00
|
|
5 0.899336E+02 0.500000E+00
|
|
P 1
|
|
1 0.365863E+02 1.0000000
|
|
P 1
|
|
1 0.155655E+02 1.0000000
|
|
P 1
|
|
1 0.571200E+01 1.0000000
|
|
P 1
|
|
1 0.216339E+01 1.0000000
|
|
P 1
|
|
1 0.521999E+00 1.0000000
|
|
P 1
|
|
1 0.150670E+00 1.0000000
|
|
P 1
|
|
1 0.411160E-01 1.0000000
|
|
D 5
|
|
1 0.167891E+03 0.110919E-01
|
|
2 0.493481E+02 0.783434E-01
|
|
3 0.180462E+02 0.265126E+00
|
|
4 0.716949E+01 0.486798E+00
|
|
5 0.280697E+01 0.500000E+00
|
|
D 1
|
|
1 0.101315E+01 1.0000000
|
|
D 1
|
|
1 0.337000E+00 1.0000000
|
|
D 1
|
|
1 0.105100E+00 1.0000000
|
|
|
|
KRYPTON
|
|
S 6
|
|
1 0.120316E+06 0.182555E-02
|
|
2 0.180657E+05 0.139994E-01
|
|
3 0.411098E+04 0.695955E-01
|
|
4 0.116120E+04 0.243502E+00
|
|
5 0.378559E+03 0.500000E+00
|
|
6 0.130876E+03 0.398871E+00
|
|
S 4
|
|
1 0.249837E+03 -0.790669E-01
|
|
2 0.302565E+02 0.500000E+00
|
|
3 0.137042E+02 0.365414E+00
|
|
4 0.467307E+01 0.458655E-01
|
|
S 2
|
|
1 0.375342E+01 0.500000E+00
|
|
2 0.157595E+01 0.209383E+00
|
|
S 1
|
|
1 0.435994E+00 1.0000000
|
|
S 1
|
|
1 0.159258E+00 1.0000000
|
|
S 1
|
|
1 0.542130E-01 1.0000000
|
|
P 5
|
|
1 0.219672E+05 0.207751E-03
|
|
2 0.337957E+04 0.411194E-02
|
|
3 0.799663E+03 0.353759E-01
|
|
4 0.258103E+03 0.167074E+00
|
|
5 0.967905E+02 0.500000E+00
|
|
P 1
|
|
1 0.394223E+02 1.0000000
|
|
P 1
|
|
1 0.168078E+02 1.0000000
|
|
P 1
|
|
1 0.619561E+01 1.0000000
|
|
P 1
|
|
1 0.238375E+01 1.0000000
|
|
P 1
|
|
1 0.597031E+00 1.0000000
|
|
P 1
|
|
1 0.174166E+00 1.0000000
|
|
P 1
|
|
1 0.480070E-01 1.0000000
|
|
D 5
|
|
1 0.186661E+03 0.104192E-01
|
|
2 0.549821E+02 0.745940E-01
|
|
3 0.202085E+02 0.256568E+00
|
|
4 0.808665E+01 0.481303E+00
|
|
5 0.320751E+01 0.500000E+00
|
|
D 1
|
|
1 0.117863E+01 1.0000000
|
|
D 1
|
|
1 0.393000E+00 1.0000000
|
|
D 1
|
|
1 0.122850E+00 1.0000000
|
|
|
|
|