mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-13 08:53:38 +01:00
3712 lines
120 KiB
Plaintext
3712 lines
120 KiB
Plaintext
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HYDROGEN
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S 7
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1 0.300996E+04 0.994949E-04
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2 0.451373E+03 0.772617E-03
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3 0.102806E+03 0.405930E-02
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4 0.291474E+02 0.170977E-01
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5 0.952878E+01 0.615690E-01
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6 0.345638E+01 0.192015E+00
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7 0.135638E+01 0.500000E+00
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S 1
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1 0.561300E+00 1.0000000
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S 1
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1 0.241026E+00 1.0000000
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S 1
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1 0.104273E+00 1.0000000
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S 1
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1 0.439734E-01 1.0000000
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S 1
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1 0.171020E-01 1.0000000
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P 2
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1 0.180000E+03 0.352640E-01
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2 0.300000E+02 0.500000E+00
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P 1
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1 0.660000E+01 1.0000000
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P 1
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1 0.210000E+01 1.0000000
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P 1
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1 0.950000E+00 1.0000000
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P 1
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1 0.450000E+00 1.0000000
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P 1
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1 0.150000E+00 1.0000000
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P 1
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1 0.513050E-01 1.0000000
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D 1
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|
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
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1 0.684070E-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
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1 0.900000E+00 1.0000000
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F 1
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1 0.855090E-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 0.102610E+00 1.0000000
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HELIUM
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S 7
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1 0.877224E+04 0.112016E-03
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2 0.131420E+04 0.870431E-03
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3 0.299180E+03 0.456768E-02
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4 0.847866E+02 0.191446E-01
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5 0.276895E+02 0.679676E-01
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6 0.100123E+02 0.204755E+00
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7 0.389571E+01 0.500000E+00
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S 1
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1 0.158365E+01 1.0000000
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S 1
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1 0.657655E+00 1.0000000
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S 1
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|
1 0.264806E+00 1.0000000
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S 1
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1 0.105914E+00 1.0000000
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S 1
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1 0.392250E-01 1.0000000
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P 2
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1 0.243000E+03 0.303650E-01
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2 0.405000E+02 0.500000E+00
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P 1
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|
1 0.890000E+01 1.0000000
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P 1
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||
|
1 0.285000E+01 1.0000000
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|
P 1
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||
|
1 0.130000E+01 1.0000000
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|
P 1
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|
1 0.600000E+00 1.0000000
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P 1
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|
1 0.200000E+00 1.0000000
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P 1
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|
1 0.117670E+00 1.0000000
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D 1
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1 0.370000E+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 0.500000E+00 1.0000000
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|
D 1
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|
1 0.156900E+00 1.0000000
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F 1
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|
1 0.410000E+01 1.0000000
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F 1
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|
1 0.150000E+01 1.0000000
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F 1
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|
1 0.196120E+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 0.235350E+00 1.0000000
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LITHIUM
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S 12
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1 0.884669E+05 0.125450E-04
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2 0.132495E+05 0.975394E-04
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3 0.301504E+04 0.513045E-03
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4 0.854032E+03 0.216538E-02
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5 0.278704E+03 0.786351E-02
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6 0.100686E+03 0.253659E-01
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7 0.394087E+02 0.719619E-01
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8 0.164879E+02 0.181504E+00
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9 0.734787E+01 0.348588E+00
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10 0.359135E+01 0.532900E+00
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11 0.195301E+01 0.500000E+00
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12 0.101030E+01 0.770000E+00
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S 4
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1 0.377262E+02 0.102727E-02
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2 0.778069E+01 0.171265E-01
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3 0.195505E+01 0.158407E+00
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4 0.481626E+00 0.500000E+00
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S 1
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1 0.229140E+00 1.0000000
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S 1
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|
1 0.932706E-01 1.0000000
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|
S 1
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|
1 0.417901E-01 1.0000000
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|
S 1
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|
1 0.179044E-01 1.0000000
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S 1
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|
1 0.706550E-02 1.0000000
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P 3
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1 0.189396E+03 0.318724E-02
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2 0.291379E+02 0.616883E-01
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3 0.677083E+01 0.500000E+00
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P 1
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|
1 0.197116E+01 1.0000000
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P 1
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|
1 0.653530E+00 1.0000000
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|
P 1
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|
1 0.258317E+00 1.0000000
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|
P 1
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||
|
1 0.105819E+00 1.0000000
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|
P 1
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||
|
1 0.431501E-01 1.0000000
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|
P 1
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||
|
1 0.165492E-01 1.0000000
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|
P 1
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||
|
1 0.211960E-01 1.0000000
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D 1
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|
1 0.175000E+01 1.0000000
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|
D 1
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||
|
1 0.300000E+00 1.0000000
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|
D 1
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|
1 0.110000E+00 1.0000000
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D 1
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|
1 0.282620E-01 1.0000000
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|
F 1
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|
1 0.500000E+00 1.0000000
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|
F 1
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|
1 0.200000E+00 1.0000000
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|
F 1
|
||
|
1 0.353270E-01 1.0000000
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||
|
G 1
|
||
|
1 0.550000E+00 1.0000000
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G 1
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|
1 0.423930E-01 1.0000000
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|
BERYLLIUM
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|
S 12
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||
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1 0.242387E+06 0.671218E-05
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2 0.363406E+05 0.520966E-04
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||
|
3 0.828251E+04 0.273398E-03
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4 0.235049E+04 0.115170E-02
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||
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5 0.768341E+03 0.418157E-02
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||
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6 0.277860E+03 0.135649E-01
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7 0.108503E+03 0.399140E-01
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8 0.450030E+02 0.104239E+00
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9 0.196716E+02 0.241942E+00
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10 0.877289E+01 0.442318E+00
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11 0.455897E+01 0.500000E+00
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12 0.212678E+01 0.715523E+00
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S 4
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1 0.467790E+02 0.167625E-02
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2 0.120719E+02 0.254590E-01
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||
|
3 0.347695E+01 0.199557E+00
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4 0.102619E+01 0.500000E+00
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|
S 1
|
||
|
1 0.480281E+00 1.0000000
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|
S 1
|
||
|
1 0.195855E+00 1.0000000
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||
|
S 1
|
||
|
1 0.821252E-01 1.0000000
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||
|
S 1
|
||
|
1 0.340092E-01 1.0000000
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|
S 1
|
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|
1 0.130060E-01 1.0000000
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|
P 3
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||
|
1 0.291019E+03 0.316243E-02
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||
|
2 0.447722E+02 0.614567E-01
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3 0.104671E+02 0.500000E+00
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|
P 1
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||
|
1 0.311028E+01 1.0000000
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||
|
P 1
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||
|
1 0.104755E+01 1.0000000
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||
|
P 1
|
||
|
1 0.413338E+00 1.0000000
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||
|
P 1
|
||
|
1 0.168212E+00 1.0000000
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||
|
P 1
|
||
|
1 0.675838E-01 1.0000000
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||
|
P 1
|
||
|
1 0.255654E-01 1.0000000
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||
|
P 1
|
||
|
1 0.390190E-01 1.0000000
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|
D 1
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||
|
1 0.335000E+01 1.0000000
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||
|
D 1
|
||
|
1 0.570000E+00 1.0000000
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||
|
D 1
|
||
|
1 0.210000E+00 1.0000000
|
||
|
D 1
|
||
|
1 0.520260E-01 1.0000000
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||
|
F 1
|
||
|
1 0.750000E+00 1.0000000
|
||
|
F 1
|
||
|
1 0.300000E+00 1.0000000
|
||
|
F 1
|
||
|
1 0.650320E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.800000E+00 1.0000000
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||
|
G 1
|
||
|
1 0.780390E-01 1.0000000
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|
|
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|
BORON
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|
S 12
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1 0.432161E+06 0.545386E-05
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2 0.649530E+05 0.421889E-04
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||
|
3 0.148254E+05 0.221125E-03
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||
|
4 0.420988E+04 0.931265E-03
|
||
|
5 0.137637E+04 0.338272E-02
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||
|
6 0.497923E+03 0.109725E-01
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||
|
7 0.194812E+03 0.322387E-01
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||
|
8 0.814167E+02 0.842943E-01
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||
|
9 0.355115E+02 0.200592E+00
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||
|
10 0.163145E+02 0.354518E+00
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||
|
11 0.833424E+01 0.500000E+00
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||
|
12 0.378189E+01 0.664912E+00
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S 4
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|
1 0.603010E+02 0.256607E-02
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||
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2 0.178042E+02 0.292357E-01
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||
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3 0.583388E+01 0.193257E+00
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||
|
4 0.187876E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.922869E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.352789E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.143448E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.580750E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.217510E-01 1.0000000
|
||
|
P 4
|
||
|
1 0.147558E+04 0.496058E-03
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||
|
2 0.227013E+03 0.100103E-01
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||
|
3 0.538077E+02 0.901199E-01
|
||
|
4 0.170458E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.602063E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.262812E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.120656E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.574525E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.275979E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.129688E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.600059E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.263074E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.106040E-01 1.0000000
|
||
|
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
|
||
|
D 1
|
||
|
1 0.318110E-01 1.0000000
|
||
|
F 1
|
||
|
1 0.190000E+01 1.0000000
|
||
|
F 1
|
||
|
1 0.800000E+00 1.0000000
|
||
|
F 1
|
||
|
1 0.350000E+00 1.0000000
|
||
|
F 1
|
||
|
1 0.424150E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.165000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.700000E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.530190E-01 1.0000000
|
||
|
H 1
|
||
|
1 0.175000E+01 1.0000000
|
||
|
H 1
|
||
|
1 0.636230E-01 1.0000000
|
||
|
|
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|
CARBON
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|
S 12
|
||
|
1 0.713988E+06 0.405120E-05
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||
|
2 0.107119E+06 0.314303E-04
|
||
|
3 0.244063E+05 0.165102E-03
|
||
|
4 0.692100E+04 0.696477E-03
|
||
|
5 0.226076E+04 0.253267E-02
|
||
|
6 0.817208E+03 0.823653E-02
|
||
|
7 0.319054E+03 0.243918E-01
|
||
|
8 0.132447E+03 0.657916E-01
|
||
|
9 0.578170E+02 0.152023E+00
|
||
|
10 0.267182E+02 0.301922E+00
|
||
|
11 0.123637E+02 0.500000E+00
|
||
|
12 0.546363E+01 0.540822E+00
|
||
|
S 4
|
||
|
1 0.594006E+02 0.631685E-02
|
||
|
2 0.189467E+02 0.512142E-01
|
||
|
3 0.742270E+01 0.216146E+00
|
||
|
4 0.272239E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.131261E+01 1.0000000
|
||
|
S 1
|
||
|
1 0.515235E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.209159E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.837574E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.310530E-01 1.0000000
|
||
|
P 4
|
||
|
1 0.246461E+04 0.486521E-03
|
||
|
2 0.379171E+03 0.987039E-02
|
||
|
3 0.897598E+02 0.896469E-01
|
||
|
4 0.286625E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.103114E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.445074E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.200750E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.943558E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.445090E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.206068E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.944742E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.407250E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.161620E-01 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 0.484860E-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 0.646480E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.210000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.900000E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.808100E-01 1.0000000
|
||
|
H 1
|
||
|
1 0.185000E+01 1.0000000
|
||
|
H 1
|
||
|
1 0.969720E-01 1.0000000
|
||
|
|
||
|
NITROGEN
|
||
|
S 12
|
||
|
1 0.857271E+06 0.442448E-05
|
||
|
2 0.128455E+06 0.343751E-04
|
||
|
3 0.292622E+05 0.180530E-03
|
||
|
4 0.829780E+04 0.761488E-03
|
||
|
5 0.271094E+04 0.276668E-02
|
||
|
6 0.980292E+03 0.898437E-02
|
||
|
7 0.382847E+03 0.265339E-01
|
||
|
8 0.158978E+03 0.711280E-01
|
||
|
9 0.696308E+02 0.160579E+00
|
||
|
10 0.319728E+02 0.322493E+00
|
||
|
11 0.145060E+02 0.500000E+00
|
||
|
12 0.658672E+01 0.426567E+00
|
||
|
S 4
|
||
|
1 0.661063E+02 0.116808E-01
|
||
|
2 0.205880E+02 0.952102E-01
|
||
|
3 0.819692E+01 0.300172E+00
|
||
|
4 0.337474E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.165218E+01 1.0000000
|
||
|
S 1
|
||
|
1 0.672072E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.275511E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.110252E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.408500E-01 1.0000000
|
||
|
P 4
|
||
|
1 0.370729E+04 0.481273E-03
|
||
|
2 0.570352E+03 0.976280E-02
|
||
|
3 0.135139E+03 0.889696E-01
|
||
|
4 0.433118E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.156814E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.666430E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.298248E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.139060E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.650502E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.300699E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.136515E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.579684E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.226880E-01 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 0.680650E-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 0.907530E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.255000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.110000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.113440E+00 1.0000000
|
||
|
H 1
|
||
|
1 0.195000E+01 1.0000000
|
||
|
H 1
|
||
|
1 0.136130E+00 1.0000000
|
||
|
|
||
|
OXYGEN
|
||
|
S 12
|
||
|
1 0.114221E+07 0.429557E-05
|
||
|
2 0.171021E+06 0.334038E-04
|
||
|
3 0.389250E+05 0.175666E-03
|
||
|
4 0.110291E+05 0.741674E-03
|
||
|
5 0.360056E+04 0.269786E-02
|
||
|
6 0.130100E+04 0.876803E-02
|
||
|
7 0.508049E+03 0.258859E-01
|
||
|
8 0.211087E+03 0.694093E-01
|
||
|
9 0.927409E+02 0.154637E+00
|
||
|
10 0.422504E+02 0.324258E+00
|
||
|
11 0.183876E+02 0.500000E+00
|
||
|
12 0.834627E+01 0.309809E+00
|
||
|
S 4
|
||
|
1 0.841167E+02 0.174688E-01
|
||
|
2 0.253595E+02 0.156321E+00
|
||
|
3 0.959138E+01 0.474758E+00
|
||
|
4 0.425904E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.190789E+01 1.0000000
|
||
|
S 1
|
||
|
1 0.832617E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.352755E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.144545E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.547430E-01 1.0000000
|
||
|
P 4
|
||
|
1 0.580324E+04 0.484143E-03
|
||
|
2 0.892806E+03 0.984064E-02
|
||
|
3 0.211415E+03 0.903073E-01
|
||
|
4 0.683366E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.262298E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.116039E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.509765E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.233975E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.106681E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.470423E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.196221E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.770339E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.280410E-01 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 0.841230E-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 0.112160E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.305000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.130000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.140200E+00 1.0000000
|
||
|
H 1
|
||
|
1 0.205000E+01 1.0000000
|
||
|
H 1
|
||
|
1 0.168250E+00 1.0000000
|
||
|
|
||
|
FLUORINE
|
||
|
S 12
|
||
|
1 0.149245E+07 0.421068E-05
|
||
|
2 0.223504E+06 0.327369E-04
|
||
|
3 0.508888E+05 0.172056E-03
|
||
|
4 0.144232E+05 0.726324E-03
|
||
|
5 0.470747E+04 0.264471E-02
|
||
|
6 0.169946E+04 0.861267E-02
|
||
|
7 0.662675E+03 0.255075E-01
|
||
|
8 0.274932E+03 0.685895E-01
|
||
|
9 0.120974E+03 0.151186E+00
|
||
|
10 0.551040E+02 0.322315E+00
|
||
|
11 0.235154E+02 0.500000E+00
|
||
|
12 0.105009E+02 0.235433E+00
|
||
|
S 4
|
||
|
1 0.108252E+03 0.208399E-01
|
||
|
2 0.325577E+02 0.191120E+00
|
||
|
3 0.120150E+02 0.612293E+00
|
||
|
4 0.541101E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.229993E+01 1.0000000
|
||
|
S 1
|
||
|
1 0.102395E+01 1.0000000
|
||
|
S 1
|
||
|
1 0.440933E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.182580E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.698200E-01 1.0000000
|
||
|
P 4
|
||
|
1 0.672380E+04 0.480144E-03
|
||
|
2 0.103443E+04 0.975717E-02
|
||
|
3 0.244865E+03 0.894716E-01
|
||
|
4 0.788732E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.296998E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.130075E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.583556E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.271095E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.125029E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.558399E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.235082E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.936416E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.345480E-01 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 0.103650E+00 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 0.138190E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.360000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.155000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.172740E+00 1.0000000
|
||
|
H 1
|
||
|
1 0.215000E+01 1.0000000
|
||
|
H 1
|
||
|
1 0.207290E+00 1.0000000
|
||
|
|
||
|
NEON
|
||
|
S 12
|
||
|
1 0.200519E+07 0.392206E-05
|
||
|
2 0.300560E+06 0.304648E-04
|
||
|
3 0.684361E+05 0.160161E-03
|
||
|
4 0.193702E+05 0.678740E-03
|
||
|
5 0.629788E+04 0.248878E-02
|
||
|
6 0.226312E+04 0.816029E-02
|
||
|
7 0.878056E+03 0.243887E-01
|
||
|
8 0.361802E+03 0.665430E-01
|
||
|
9 0.158266E+03 0.148508E+00
|
||
|
10 0.709342E+02 0.326807E+00
|
||
|
11 0.297881E+02 0.500000E+00
|
||
|
12 0.132653E+02 0.181433E+00
|
||
|
S 4
|
||
|
1 0.133958E+03 0.234717E-01
|
||
|
2 0.406258E+02 0.212489E+00
|
||
|
3 0.149669E+02 0.697485E+00
|
||
|
4 0.681893E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.280458E+01 1.0000000
|
||
|
S 1
|
||
|
1 0.125646E+01 1.0000000
|
||
|
S 1
|
||
|
1 0.543426E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.224780E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.858730E-01 1.0000000
|
||
|
P 4
|
||
|
1 0.760760E+04 0.481824E-03
|
||
|
2 0.117040E+04 0.978915E-02
|
||
|
3 0.277095E+03 0.895003E-01
|
||
|
4 0.892374E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.330683E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.139999E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.627791E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.291070E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.134658E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.610297E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.262248E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.106987E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.403540E-01 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 0.121060E+00 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 0.161420E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.420000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.180000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.201770E+00 1.0000000
|
||
|
H 1
|
||
|
1 0.225000E+01 1.0000000
|
||
|
H 1
|
||
|
1 0.242120E+00 1.0000000
|
||
|
|
||
|
SODIUM
|
||
|
S 14
|
||
|
1 0.309540E+07 0.227025E-05
|
||
|
2 0.461567E+06 0.178244E-04
|
||
|
3 0.104174E+06 0.948168E-04
|
||
|
4 0.293413E+05 0.402743E-03
|
||
|
5 0.954303E+04 0.147166E-02
|
||
|
6 0.343837E+04 0.481068E-02
|
||
|
7 0.133857E+04 0.143535E-01
|
||
|
8 0.554005E+03 0.393045E-01
|
||
|
9 0.241002E+03 0.976387E-01
|
||
|
10 0.108870E+03 0.212894E+00
|
||
|
11 0.509387E+02 0.379976E+00
|
||
|
12 0.244419E+02 0.500000E+00
|
||
|
13 0.117734E+02 0.381755E+00
|
||
|
14 0.563030E+01 0.103793E+00
|
||
|
S 5
|
||
|
1 0.125807E+03 -0.578418E-02
|
||
|
2 0.391912E+02 -0.443469E-01
|
||
|
3 0.144448E+02 -0.126688E+00
|
||
|
4 0.277102E+01 0.405840E+00
|
||
|
5 0.115947E+01 0.500000E+00
|
||
|
S 2
|
||
|
1 0.144232E+01 0.246385E+00
|
||
|
2 0.548802E+00 0.500000E+00
|
||
|
S 1
|
||
|
1 0.231000E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.952929E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.417204E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.175659E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.682150E-02 1.0000000
|
||
|
P 7
|
||
|
1 0.191651E+05 0.109746E-04
|
||
|
2 0.294848E+04 0.222984E-03
|
||
|
3 0.700747E+03 0.204966E-02
|
||
|
4 0.229090E+03 0.114737E-01
|
||
|
5 0.880653E+02 0.496425E-01
|
||
|
6 0.362213E+02 0.188541E+00
|
||
|
7 0.160725E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.757547E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.366221E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.176584E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.842395E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.390140E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.172619E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.807000E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.367000E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.167000E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.696530E-02 1.0000000
|
||
|
D 1
|
||
|
1 0.235000E+01 1.0000000
|
||
|
D 1
|
||
|
1 0.560000E+00 1.0000000
|
||
|
D 1
|
||
|
1 0.140000E+00 1.0000000
|
||
|
D 1
|
||
|
1 0.208960E-01 1.0000000
|
||
|
F 1
|
||
|
1 0.108000E+01 1.0000000
|
||
|
F 1
|
||
|
1 0.240000E+00 1.0000000
|
||
|
F 1
|
||
|
1 0.278610E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.300000E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.348260E-01 1.0000000
|
||
|
|
||
|
MAGNESIUM
|
||
|
S 14
|
||
|
1 0.368901E+07 0.226101E-05
|
||
|
2 0.551274E+06 0.176931E-04
|
||
|
3 0.124720E+06 0.938399E-04
|
||
|
4 0.351973E+05 0.397641E-03
|
||
|
5 0.114689E+05 0.144898E-02
|
||
|
6 0.414218E+04 0.471921E-02
|
||
|
7 0.161749E+04 0.140154E-01
|
||
|
8 0.672134E+03 0.381692E-01
|
||
|
9 0.293772E+03 0.944709E-01
|
||
|
10 0.133336E+03 0.206035E+00
|
||
|
11 0.625579E+02 0.372727E+00
|
||
|
12 0.299620E+02 0.500000E+00
|
||
|
13 0.144193E+02 0.388575E+00
|
||
|
14 0.691028E+01 0.109201E+00
|
||
|
S 5
|
||
|
1 0.148908E+03 -0.595860E-02
|
||
|
2 0.465525E+02 -0.450480E-01
|
||
|
3 0.173493E+02 -0.126530E+00
|
||
|
4 0.341836E+01 0.384595E+00
|
||
|
5 0.148605E+01 0.500000E+00
|
||
|
S 2
|
||
|
1 0.190567E+01 0.223489E+00
|
||
|
2 0.738987E+00 0.500000E+00
|
||
|
S 1
|
||
|
1 0.321000E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.146716E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.636243E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.270158E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.105730E-01 1.0000000
|
||
|
P 7
|
||
|
1 0.277388E+05 0.102351E-04
|
||
|
2 0.426751E+04 0.207623E-03
|
||
|
3 0.101507E+04 0.191257E-02
|
||
|
4 0.330816E+03 0.109199E-01
|
||
|
5 0.125804E+03 0.493124E-01
|
||
|
6 0.516334E+02 0.186448E+00
|
||
|
7 0.234596E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.111649E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.546781E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.266860E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.127921E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.604098E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.273645E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.122500E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.557000E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.253000E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.105350E-01 1.0000000
|
||
|
D 1
|
||
|
1 0.336000E+01 1.0000000
|
||
|
D 1
|
||
|
1 0.800000E+00 1.0000000
|
||
|
D 1
|
||
|
1 0.200000E+00 1.0000000
|
||
|
D 1
|
||
|
1 0.316040E-01 1.0000000
|
||
|
F 1
|
||
|
1 0.135000E+01 1.0000000
|
||
|
F 1
|
||
|
1 0.300000E+00 1.0000000
|
||
|
F 1
|
||
|
1 0.421390E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.350000E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.526740E-01 1.0000000
|
||
|
|
||
|
ALUMINUM
|
||
|
S 14
|
||
|
1 0.460419E+07 0.207723E-05
|
||
|
2 0.692204E+06 0.160616E-04
|
||
|
3 0.158265E+06 0.839360E-04
|
||
|
4 0.450079E+05 0.353277E-03
|
||
|
5 0.147180E+05 0.128565E-02
|
||
|
6 0.531773E+04 0.419754E-02
|
||
|
7 0.207237E+04 0.125509E-01
|
||
|
8 0.856128E+03 0.347310E-01
|
||
|
9 0.370174E+03 0.880824E-01
|
||
|
10 0.165993E+03 0.196479E+00
|
||
|
11 0.770255E+02 0.364550E+00
|
||
|
12 0.365343E+02 0.500000E+00
|
||
|
13 0.174961E+02 0.396920E+00
|
||
|
14 0.837373E+01 0.115575E+00
|
||
|
S 5
|
||
|
1 0.175078E+03 -0.576577E-02
|
||
|
2 0.548287E+02 -0.433508E-01
|
||
|
3 0.205925E+02 -0.120752E+00
|
||
|
4 0.408631E+01 0.366115E+00
|
||
|
5 0.179475E+01 0.500000E+00
|
||
|
S 2
|
||
|
1 0.239927E+01 0.223033E+00
|
||
|
2 0.923002E+00 0.500000E+00
|
||
|
S 1
|
||
|
1 0.450563E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.209053E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.937742E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.410579E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.165290E-01 1.0000000
|
||
|
P 7
|
||
|
1 0.369674E+05 0.100229E-04
|
||
|
2 0.568730E+04 0.205782E-03
|
||
|
3 0.134353E+04 0.191905E-02
|
||
|
4 0.435837E+03 0.110897E-01
|
||
|
5 0.165334E+03 0.505256E-01
|
||
|
6 0.686126E+02 0.185794E+00
|
||
|
7 0.318820E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.154353E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.775754E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.392493E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.197568E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.998831E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.506362E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.258741E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.115669E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.510079E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.211813E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.812120E-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 0.243640E-01 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 0.324850E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.114000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.380000E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.406060E-01 1.0000000
|
||
|
H 1
|
||
|
1 0.690000E+00 1.0000000
|
||
|
H 1
|
||
|
1 0.487270E-01 1.0000000
|
||
|
|
||
|
SILICON
|
||
|
S 14
|
||
|
1 0.503073E+07 0.224618E-05
|
||
|
2 0.760821E+06 0.172411E-04
|
||
|
3 0.174213E+06 0.901025E-04
|
||
|
4 0.495621E+05 0.378866E-03
|
||
|
5 0.162211E+05 0.137712E-02
|
||
|
6 0.586330E+04 0.449368E-02
|
||
|
7 0.228796E+04 0.133718E-01
|
||
|
8 0.950174E+03 0.364875E-01
|
||
|
9 0.415107E+03 0.907139E-01
|
||
|
10 0.188396E+03 0.199042E+00
|
||
|
11 0.883505E+02 0.366098E+00
|
||
|
12 0.421838E+02 0.500000E+00
|
||
|
13 0.203092E+02 0.394932E+00
|
||
|
14 0.977313E+01 0.114634E+00
|
||
|
S 5
|
||
|
1 0.203524E+03 -0.552632E-02
|
||
|
2 0.637849E+02 -0.414554E-01
|
||
|
3 0.241048E+02 -0.114555E+00
|
||
|
4 0.481663E+01 0.347374E+00
|
||
|
5 0.215988E+01 0.500000E+00
|
||
|
S 2
|
||
|
1 0.298569E+01 0.202497E+00
|
||
|
2 0.113273E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.617294E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.271986E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.123448E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.546559E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.222300E-01 1.0000000
|
||
|
P 7
|
||
|
1 0.419467E+05 0.956099E-05
|
||
|
2 0.645333E+04 0.196905E-03
|
||
|
3 0.151969E+04 0.184624E-02
|
||
|
4 0.492336E+03 0.106694E-01
|
||
|
5 0.186978E+03 0.484398E-01
|
||
|
6 0.772959E+02 0.182276E+00
|
||
|
7 0.353303E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.169714E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.849433E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.436211E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.226536E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.116493E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.596228E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.291451E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.138548E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.645939E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.283355E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.114270E-01 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 0.342820E-01 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 0.457100E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.135000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.450000E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.571370E-01 1.0000000
|
||
|
H 1
|
||
|
1 0.780000E+00 1.0000000
|
||
|
H 1
|
||
|
1 0.685640E-01 1.0000000
|
||
|
|
||
|
PHOSPHORUS
|
||
|
S 14
|
||
|
1 0.596579E+07 0.216386E-05
|
||
|
2 0.893793E+06 0.167910E-04
|
||
|
3 0.203761E+06 0.880959E-04
|
||
|
4 0.578637E+05 0.370827E-03
|
||
|
5 0.189280E+05 0.134693E-02
|
||
|
6 0.685081E+04 0.438172E-02
|
||
|
7 0.267831E+04 0.130145E-01
|
||
|
8 0.111333E+04 0.355500E-01
|
||
|
9 0.486327E+03 0.886143E-01
|
||
|
10 0.220774E+03 0.194855E+00
|
||
|
11 0.103557E+03 0.361500E+00
|
||
|
12 0.493434E+02 0.500000E+00
|
||
|
13 0.237206E+02 0.399048E+00
|
||
|
14 0.114226E+02 0.117537E+00
|
||
|
S 5
|
||
|
1 0.235278E+03 -0.525774E-02
|
||
|
2 0.737171E+02 -0.395662E-01
|
||
|
3 0.279575E+02 -0.109198E+00
|
||
|
4 0.557984E+01 0.337407E+00
|
||
|
5 0.256989E+01 0.500000E+00
|
||
|
S 2
|
||
|
1 0.367567E+01 0.170946E+00
|
||
|
2 0.138706E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.873722E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.353286E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.160212E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.705645E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.285640E-01 1.0000000
|
||
|
P 7
|
||
|
1 0.503654E+05 0.979729E-05
|
||
|
2 0.774853E+04 0.200058E-03
|
||
|
3 0.183575E+04 0.185806E-02
|
||
|
4 0.596685E+03 0.107118E-01
|
||
|
5 0.227154E+03 0.485995E-01
|
||
|
6 0.945463E+02 0.180919E+00
|
||
|
7 0.435847E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.210489E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.105794E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.547778E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.292724E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.156529E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.835185E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.403822E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.192936E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.902332E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.395397E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.159300E-01 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 0.477900E-01 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 0.637200E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.155000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.520000E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.796500E-01 1.0000000
|
||
|
H 1
|
||
|
1 0.870000E+00 1.0000000
|
||
|
H 1
|
||
|
1 0.955800E-01 1.0000000
|
||
|
|
||
|
SULFUR
|
||
|
S 14
|
||
|
1 0.687287E+07 0.213744E-05
|
||
|
2 0.102886E+07 0.166157E-04
|
||
|
3 0.234513E+06 0.871462E-04
|
||
|
4 0.665640E+05 0.367199E-03
|
||
|
5 0.217755E+05 0.133234E-02
|
||
|
6 0.789124E+04 0.432319E-02
|
||
|
7 0.308980E+04 0.128205E-01
|
||
|
8 0.128639E+04 0.349485E-01
|
||
|
9 0.563195E+03 0.869519E-01
|
||
|
10 0.256296E+03 0.191329E+00
|
||
|
11 0.120414E+03 0.357526E+00
|
||
|
12 0.573929E+02 0.500000E+00
|
||
|
13 0.276317E+02 0.405883E+00
|
||
|
14 0.133347E+02 0.123968E+00
|
||
|
S 5
|
||
|
1 0.269041E+03 -0.495730E-02
|
||
|
2 0.843045E+02 -0.373704E-01
|
||
|
3 0.320885E+02 -0.102889E+00
|
||
|
4 0.636829E+01 0.333738E+00
|
||
|
5 0.297852E+01 0.500000E+00
|
||
|
S 2
|
||
|
1 0.437503E+01 0.136761E+00
|
||
|
2 0.160609E+01 0.500000E+00
|
||
|
S 1
|
||
|
1 0.116514E+01 1.0000000
|
||
|
S 1
|
||
|
1 0.441473E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.202390E+00 1.0000000
|
||
|
S 1
|
||
|
1 0.897637E-01 1.0000000
|
||
|
S 1
|
||
|
1 0.365680E-01 1.0000000
|
||
|
P 7
|
||
|
1 0.607182E+05 0.976173E-05
|
||
|
2 0.934126E+04 0.198825E-03
|
||
|
3 0.221763E+04 0.184030E-02
|
||
|
4 0.722046E+03 0.105991E-01
|
||
|
5 0.275340E+03 0.481224E-01
|
||
|
6 0.115225E+03 0.177868E+00
|
||
|
7 0.533698E+02 0.500000E+00
|
||
|
P 1
|
||
|
1 0.257794E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.129610E+02 1.0000000
|
||
|
P 1
|
||
|
1 0.672387E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.359246E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.190168E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.100110E+01 1.0000000
|
||
|
P 1
|
||
|
1 0.483175E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.229624E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.105501E+00 1.0000000
|
||
|
P 1
|
||
|
1 0.453705E-01 1.0000000
|
||
|
P 1
|
||
|
1 0.179660E-01 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 0.538990E-01 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 0.718650E-01 1.0000000
|
||
|
G 1
|
||
|
1 0.176000E+01 1.0000000
|
||
|
G 1
|
||
|
1 0.590000E+00 1.0000000
|
||
|
G 1
|
||
|
1 0.898310E-01 1.0000000
|
||
|
H 1
|
||
|
1 0.950000E+00 1.0000000
|
||
|
H 1
|
||
|
1 0.107800E+00 1.0000000
|
||
|
|
||
|
CHLORINE
|
||
|
S 14
|
||
|