mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-21 11:03:29 +01:00
1328 lines
47 KiB
Plaintext
1328 lines
47 KiB
Plaintext
HYDROGEN
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S 5
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G 1
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G 1
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H 1
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HELIUM
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S 5
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S 1
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S 1
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S 1
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S 1
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S 1
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P 1
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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F 1
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F 1
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G 1
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G 1
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H 1
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BORON
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S 11
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S 11
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S 1
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S 1
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S 1
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S 1
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S 1
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P 5
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P 1
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1 0.9590000 1.0000000
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P 1
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P 1
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P 1
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P 1
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D 1
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F 1
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G 1
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H 1
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I 1
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CARBON
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S 11
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S 11
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4 3013.0000000 -0.00020857
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S 1
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S 1
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S 1
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S 1
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1 0.1971000 1.0000000
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S 1
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1 0.0863500 1.0000000
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P 5
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1 295.2000000 0.00014249
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2 69.9800000 0.00122010
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3 22.6400000 0.00633696
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4 8.4850000 0.02351875
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5 3.4590000 0.06990447
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P 1
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1 1.5040000 1.0000000
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P 1
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1 0.6783000 1.0000000
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P 1
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1 0.3087000 1.0000000
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P 1
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1 0.1400000 1.0000000
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P 1
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1 0.0617800 1.0000000
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D 1
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1 4.5420000 1.0000000
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D 1
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1 1.9790000 1.0000000
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D 1
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1 0.8621000 1.0000000
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D 1
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1 0.3756000 1.0000000
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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H 1
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H 1
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I 1
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NITROGEN
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S 11
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S 11
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S 1
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1 3.3820000 1.0000000
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S 1
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S 1
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1 0.6248000 1.0000000
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S 1
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1 0.2747000 1.0000000
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S 1
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1 0.1192000 1.0000000
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P 5
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1 415.9000000 0.00014841
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3 31.9200000 0.00670242
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4 12.0000000 0.02526170
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5 4.9190000 0.07518943
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P 1
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1 2.1480000 1.0000000
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P 1
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1 0.9696000 1.0000000
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P 1
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1 0.4399000 1.0000000
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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H 1
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H 1
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I 1
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1 2.0990000 1.0000000
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OXYGEN
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S 11
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2 85480.0000000 0.00004311
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3 19460.0000000 0.00022667
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S 11
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S 1
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1 4.4930000 1.0000000
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S 1
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1 1.8370000 1.0000000
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S 1
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1 0.8349000 1.0000000
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S 1
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1 0.3658000 1.0000000
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S 1
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1 0.1570000 1.0000000
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P 5
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1 525.6000000 0.00016664
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2 124.6000000 0.00143336
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3 40.3400000 0.00754762
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4 15.1800000 0.02859456
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|
5 6.2450000 0.08438858
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P 1
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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H 1
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H 1
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I 1
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1 2.7730000 1.0000000
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FLUORINE
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S 11
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2 108400.0000000 0.00004318
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3 24680.0000000 0.00022700
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4 6990.0000000 0.00095803
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5 2282.0000000 0.00347015
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6 824.6000000 0.01118526
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7 321.8000000 0.03232880
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8 133.5000000 0.08279545
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9 58.1100000 0.17988024
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10 26.2800000 0.30557831
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S 11
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1 723500.0000000 -0.00000129
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2 108400.0000000 -0.00000999
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3 24680.0000000 -0.00005260
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4 6990.0000000 -0.00022172
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6 824.6000000 -0.00260817
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7 321.8000000 -0.00767402
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8 133.5000000 -0.02019353
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9 58.1100000 -0.04718752
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10 26.2800000 -0.09158009
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11 12.2400000 -0.14048558
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S 1
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1 5.7470000 1.0000000
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S 1
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1 2.3650000 1.0000000
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S 1
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1 1.0710000 1.0000000
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S 1
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1 0.4681000 1.0000000
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S 1
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1 0.1994000 1.0000000
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P 5
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|
1 660.0000000 0.00017721
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2 156.4000000 0.00152691
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3 50.6400000 0.00807207
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|
4 19.0800000 0.03074021
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|
5 7.8720000 0.09011914
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P 1
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|
1 3.4490000 1.0000000
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P 1
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1 1.5450000 1.0000000
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P 1
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P 1
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P 1
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D 1
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1 10.5730000 1.0000000
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D 1
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1 4.6130000 1.0000000
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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H 1
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H 1
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1 1.9370000 1.0000000
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I 1
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1 3.5810000 1.0000000
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NEON
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S 11
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2 135100.0000000 0.00004282
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3 30750.0000000 0.00022514
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4 8710.0000000 0.00095016
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5 2842.0000000 0.00344719
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6 1026.0000000 0.01112545
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7 400.1000000 0.03220568
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8 165.9000000 0.08259891
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9 72.2100000 0.17990564
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S 11
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6 1026.0000000 -0.00263230
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S 1
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S 1
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S 1
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S 1
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S 1
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1 0.2463000 1.0000000
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P 5
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|
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2 193.3000000 0.00158509
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3 62.6000000 0.00841464
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4 23.6100000 0.03220033
|
|
5 9.7620000 0.09396390
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|
P 1
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1 4.2810000 1.0000000
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P 1
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1 1.9150000 1.0000000
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P 1
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1 0.8476000 1.0000000
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P 1
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1 0.3660000 1.0000000
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P 1
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|
1 0.1510000 1.0000000
|
|
D 1
|
|
1 13.3170000 1.0000000
|
|
D 1
|
|
1 5.8030000 1.0000000
|
|
D 1
|
|
1 2.5290000 1.0000000
|
|
D 1
|
|
1 1.1020000 1.0000000
|
|
D 1
|
|
1 0.4800000 1.0000000
|
|
F 1
|
|
1 10.3560000 1.0000000
|
|
F 1
|
|
1 4.5380000 1.0000000
|
|
F 1
|
|
1 1.9890000 1.0000000
|
|
F 1
|
|
1 0.8710000 1.0000000
|
|
G 1
|
|
1 8.3450000 1.0000000
|
|
G 1
|
|
1 3.4170000 1.0000000
|
|
G 1
|
|
1 1.3990000 1.0000000
|
|
H 1
|
|
1 6.5190000 1.0000000
|
|
H 1
|
|
1 2.4470000 1.0000000
|
|
I 1
|
|
1 4.4890000 1.0000000
|
|
|
|
ALUMINUM
|
|
S 16
|
|
1 3652000.0000000 0.0000019
|
|
2 546800.0000000 0.0000145
|
|
3 124500.0000000 0.0000762
|
|
4 35440.0000000 0.0003158
|
|
5 11840.0000000 0.0010974
|
|
6 4434.0000000 0.0033697
|
|
7 1812.0000000 0.0093222
|
|
8 791.5000000 0.0237992
|
|
9 361.0000000 0.0568191
|
|
10 169.5000000 0.1224680
|
|
11 81.6800000 0.2238970
|
|
12 40.2800000 0.3134460
|
|
13 20.2500000 0.2749750
|
|
14 10.2300000 0.1105640
|
|
15 4.8020000 0.0119215
|
|
16 2.3390000 0.0006528
|
|
S 16
|
|
1 3652000.0000000 -0.0000005
|
|
2 546800.0000000 -0.0000038
|
|
3 124500.0000000 -0.0000198
|
|
4 35440.0000000 -0.0000821
|
|
5 11840.0000000 -0.0002858
|
|
6 4434.0000000 -0.0008785
|
|
7 1812.0000000 -0.0024482
|
|
8 791.5000000 -0.0063100
|
|
9 361.0000000 -0.0154854
|
|
10 169.5000000 -0.0349589
|
|
11 81.6800000 -0.0707729
|
|
12 40.2800000 -0.1194230
|
|
13 20.2500000 -0.1488420
|
|
14 10.2300000 -0.0590465
|
|
15 4.8020000 0.2166930
|
|
16 2.3390000 0.4765570
|
|
S 16
|
|
1 3652000.0000000 0.0000001
|
|
2 546800.0000000 0.0000009
|
|
3 124500.0000000 0.0000046
|
|
4 35440.0000000 0.0000190
|
|
5 11840.0000000 0.0000659
|
|
6 4434.0000000 0.0002031
|
|
7 1812.0000000 0.0005647
|
|
8 791.5000000 0.0014620
|
|
9 361.0000000 0.0035794
|
|
10 169.5000000 0.0081516
|
|
11 81.6800000 0.0165276
|
|
12 40.2800000 0.0285467
|
|
13 20.2500000 0.0361484
|
|
14 10.2300000 0.0153804
|
|
15 4.8020000 -0.0612141
|
|
16 2.3390000 -0.1512630
|
|
S 1
|
|
1 1.1630000 1.0000000
|
|
S 1
|
|
1 0.5882000 1.0000000
|
|
S 1
|
|
1 0.2311000 1.0000000
|
|
S 1
|
|
1 0.1027000 1.0000000
|
|
S 1
|
|
1 0.0452100 1.0000000
|
|
P 9
|
|
1 2884.0000000 0.0000638
|
|
2 683.2000000 0.0005631
|
|
3 222.0000000 0.0031691
|
|
4 84.8200000 0.0132401
|
|
5 35.8100000 0.0433403
|
|
6 16.2200000 0.1119500
|
|
7 7.7020000 0.2177960
|
|
8 3.7410000 0.3116750
|
|
9 1.8310000 0.3167220
|
|
P 9
|
|
1 2884.0000000 -0.0000080
|
|
2 683.2000000 -0.0000651
|
|
3 222.0000000 -0.0003999
|
|
4 84.8200000 -0.0015369
|
|
5 35.8100000 -0.0055644
|
|
6 16.2200000 -0.0131106
|
|
7 7.7020000 -0.0297200
|
|
8 3.7410000 -0.0347195
|
|
9 1.8310000 -0.0551621
|
|
P 1
|
|
1 0.8878000 1.0000000
|
|
P 1
|
|
1 0.3989000 1.0000000
|
|
P 1
|
|
1 0.1718000 1.0000000
|
|
P 1
|
|
1 0.0729800 1.0000000
|
|
P 1
|
|
1 0.0306900 1.0000000
|
|
D 1
|
|
1 2.2143000 1.0000000
|
|
D 1
|
|
1 0.9449000 1.0000000
|
|
D 1
|
|
1 0.4032000 1.0000000
|
|
D 1
|
|
1 0.1721000 1.0000000
|
|
D 1
|
|
1 0.0734300 1.0000000
|
|
F 1
|
|
1 0.8756000 1.0000000
|
|
F 1
|
|
1 0.4472000 1.0000000
|
|
F 1
|
|
1 0.2284000 1.0000000
|
|
F 1
|
|
1 0.1167000 1.0000000
|
|
G 1
|
|
1 0.6952000 1.0000000
|
|
G 1
|
|
1 0.3771000 1.0000000
|
|
G 1
|
|
1 0.2046000 1.0000000
|
|
H 1
|
|
1 0.6560000 1.0000000
|
|
H 1
|
|
1 0.3300000 1.0000000
|
|
I 1
|
|
1 0.5302000 1.0000000
|
|
|
|
SILICON
|
|
S 16
|
|
1 4465000.0000000 0.0000017
|
|
2 668500.0000000 0.0000136
|
|
3 152200.0000000 0.0000714
|
|
4 43300.0000000 0.0002973
|
|
5 14410.0000000 0.0010383
|
|
6 5394.0000000 0.0031747
|
|
7 2212.0000000 0.0087324
|
|
8 968.1000000 0.0223830
|
|
9 441.2000000 0.0537273
|
|
10 207.1000000 0.1166490
|
|
11 99.8000000 0.2159780
|
|
12 49.2400000 0.3095660
|
|
13 24.7400000 0.2839450
|
|
14 12.4700000 0.1222320
|
|
15 5.7950000 0.0141952
|
|
16 2.8300000 0.0003121
|
|
S 16
|
|
1 4465000.0000000 -0.0000005
|
|
2 668500.0000000 -0.0000036
|
|
3 152200.0000000 -0.0000190
|
|
4 43300.0000000 -0.0000791
|
|
5 14410.0000000 -0.0002769
|
|
6 5394.0000000 -0.0008472
|
|
7 2212.0000000 -0.0023478
|
|
8 968.1000000 -0.0060705
|
|
9 441.2000000 -0.0149711
|
|
10 207.1000000 -0.0339729
|
|
11 99.8000000 -0.0694584
|
|
12 49.2400000 -0.1190010
|
|
13 24.7400000 -0.1536450
|
|
14 12.4700000 -0.0704684
|
|
15 5.7950000 0.2131490
|
|
16 2.8300000 0.4915960
|
|
S 16
|
|
1 4465000.0000000 0.0000001
|
|
2 668500.0000000 0.0000009
|
|
3 152200.0000000 0.0000049
|
|
4 43300.0000000 0.0000203
|
|
5 14410.0000000 0.0000709
|
|
6 5394.0000000 0.0002172
|
|
7 2212.0000000 0.0006013
|
|
8 968.1000000 0.0015591
|
|
9 441.2000000 0.0038443
|
|
10 207.1000000 0.0087797
|
|
11 99.8000000 0.0180388
|
|
12 49.2400000 0.0315224
|
|
13 24.7400000 0.0416905
|
|
14 12.4700000 0.0200973
|
|
15 5.7950000 -0.0667484
|
|
16 2.8300000 -0.1819060
|
|
S 1
|
|
1 1.4070000 1.0000000
|
|
S 1
|
|
1 0.6995000 1.0000000
|
|
S 1
|
|
1 0.3083000 1.0000000
|
|
S 1
|
|
1 0.1385000 1.0000000
|
|
S 1
|
|
1 0.0614500 1.0000000
|
|
P 9
|
|
1 3572.0000000 0.0000599
|
|
2 846.0000000 0.0005296
|
|
3 274.8000000 0.0029958
|
|
4 105.0000000 0.0126335
|
|
5 44.3500000 0.0419044
|
|
6 20.0800000 0.1102590
|
|
7 9.5300000 0.2188310
|
|
8 4.6340000 0.3178280
|
|
9 2.2800000 0.3194250
|
|
P 9
|
|
1 3572.0000000 -0.0000128
|
|
2 846.0000000 -0.0001126
|
|
3 274.8000000 -0.0006402
|
|
4 105.0000000 -0.0027029
|
|
5 44.3500000 -0.0090789
|
|
6 20.0800000 -0.0242348
|
|
7 9.5300000 -0.0493460
|
|
8 4.6340000 -0.0725859
|
|
9 2.2800000 -0.0804258
|
|
P 1
|
|
1 1.1160000 1.0000000
|
|
P 1
|
|
1 0.4991000 1.0000000
|
|
P 1
|
|
1 0.2254000 1.0000000
|
|
P 1
|
|
1 0.1001000 1.0000000
|
|
P 1
|
|
1 0.0433200 1.0000000
|
|
D 1
|
|
1 3.2386000 1.0000000
|
|
D 1
|
|
1 1.3767000 1.0000000
|
|
D 1
|
|
1 0.5853000 1.0000000
|
|
D 1
|
|
1 0.2488000 1.0000000
|
|
D 1
|
|
1 0.1058000 1.0000000
|
|
F 1
|
|
1 1.3510000 1.0000000
|
|
F 1
|
|
1 0.6600000 1.0000000
|
|
F 1
|
|
1 0.3225000 1.0000000
|
|
F 1
|
|
1 0.1575000 1.0000000
|
|
G 1
|
|
1 0.8528000 1.0000000
|
|
G 1
|
|
1 0.4631000 1.0000000
|
|
G 1
|
|
1 0.2515000 1.0000000
|
|
H 1
|
|
1 0.8557000 1.0000000
|
|
H 1
|
|
1 0.4231000 1.0000000
|
|
I 1
|
|
1 0.6946000 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 16
|
|
1 5384000.0000000 0.0000016
|
|
2 806200.0000000 0.0000128
|
|
3 183600.0000000 0.0000672
|
|
4 52250.0000000 0.0002797
|
|
5 17390.0000000 0.0009767
|
|
6 6523.0000000 0.0029684
|
|
7 2687.0000000 0.0081240
|
|
8 1178.0000000 0.0209200
|
|
9 536.2000000 0.0505590
|
|
10 251.5000000 0.1104790
|
|
11 121.3000000 0.2069570
|
|
12 59.8800000 0.3047370
|
|
13 30.0500000 0.2929520
|
|
14 15.1200000 0.1355610
|
|
15 7.0100000 0.0173208
|
|
16 3.4410000 -0.0000352
|
|
S 16
|
|
1 5384000.0000000 -0.0000004
|
|
2 806200.0000000 -0.0000035
|
|
3 183600.0000000 -0.0000183
|
|
4 52250.0000000 -0.0000759
|
|
5 17390.0000000 -0.0002657
|
|
6 6523.0000000 -0.0008080
|
|
7 2687.0000000 -0.0022273
|
|
8 1178.0000000 -0.0057833
|
|
9 536.2000000 -0.0143438
|
|
10 251.5000000 -0.0327061
|
|
11 121.3000000 -0.0673716
|
|
12 59.8800000 -0.1176470
|
|
13 30.0500000 -0.1572800
|
|
14 15.1200000 -0.0838544
|
|
15 7.0100000 0.1997180
|
|
16 3.4410000 0.4986050
|
|
S 16
|
|
1 5384000.0000000 0.0000001
|
|
2 806200.0000000 0.0000010
|
|
3 183600.0000000 0.0000050
|
|
4 52250.0000000 0.0000209
|
|
5 17390.0000000 0.0000730
|
|
6 6523.0000000 0.0002221
|
|
7 2687.0000000 0.0006122
|
|
8 1178.0000000 0.0015918
|
|
9 536.2000000 0.0039534
|
|
10 251.5000000 0.0090572
|
|
11 121.3000000 0.0187909
|
|
12 59.8800000 0.0333831
|
|
13 30.0500000 0.0459484
|
|
14 15.1200000 0.0255240
|
|
15 7.0100000 -0.0669496
|
|
16 3.4410000 -0.2036450
|
|
S 1
|
|
1 1.7120000 1.0000000
|
|
S 1
|
|
1 0.8337000 1.0000000
|
|
S 1
|
|
1 0.3912000 1.0000000
|
|
S 1
|
|
1 0.1777000 1.0000000
|
|
S 1
|
|
1 0.0793900 1.0000000
|
|
P 9
|
|
1 4552.0000000 0.0000520
|
|
2 1078.0000000 0.0004604
|
|
3 350.1000000 0.0026208
|
|
4 133.8000000 0.0111873
|
|
5 56.5200000 0.0378229
|
|
6 25.5800000 0.1021160
|
|
7 12.1400000 0.2103140
|
|
8 5.9020000 0.3173830
|
|
9 2.9100000 0.3271650
|
|
P 9
|
|
1 4552.0000000 -0.0000124
|
|
2 1078.0000000 -0.0001094
|
|
3 350.1000000 -0.0006256
|
|
4 133.8000000 -0.0026734
|
|
5 56.5200000 -0.0091552
|
|
6 25.5800000 -0.0250993
|
|
7 12.1400000 -0.0531810
|
|
8 5.9020000 -0.0815888
|
|
9 2.9100000 -0.0919725
|
|
P 1
|
|
1 1.4350000 1.0000000
|
|
P 1
|
|
1 0.6570000 1.0000000
|
|
P 1
|
|
1 0.3005000 1.0000000
|
|
P 1
|
|
1 0.1340000 1.0000000
|
|
P 1
|
|
1 0.0578300 1.0000000
|
|
D 1
|
|
1 4.3008000 1.0000000
|
|
D 1
|
|
1 1.8346000 1.0000000
|
|
D 1
|
|
1 0.7826000 1.0000000
|
|
D 1
|
|
1 0.3339000 1.0000000
|
|
D 1
|
|
1 0.1424000 1.0000000
|
|
F 1
|
|
1 1.8160000 1.0000000
|
|
F 1
|
|
1 0.8806000 1.0000000
|
|
F 1
|
|
1 0.4270000 1.0000000
|
|
F 1
|
|
1 0.2070000 1.0000000
|
|
G 1
|
|
1 1.0616000 1.0000000
|
|
G 1
|
|
1 0.5791000 1.0000000
|
|
G 1
|
|
1 0.3159000 1.0000000
|
|
H 1
|
|
1 1.0850000 1.0000000
|
|
H 1
|
|
1 0.5277000 1.0000000
|
|
I 1
|
|
1 0.8890000 1.0000000
|
|
|
|
SULFUR
|
|
S 16
|
|
1 6297000.0000000 0.0000016
|
|
2 943100.0000000 0.0000124
|
|
3 214900.0000000 0.0000649
|
|
4 61250.0000000 0.0002693
|
|
5 20450.0000000 0.0009347
|
|
6 7719.0000000 0.0028083
|
|
7 3198.0000000 0.0076740
|
|
8 1402.0000000 0.0198898
|
|
9 637.2000000 0.0482589
|
|
10 298.9000000 0.1057570
|
|
11 144.3000000 0.2002230
|
|
12 71.2100000 0.3007280
|
|
13 35.7300000 0.2986880
|
|
14 17.9700000 0.1463470
|
|
15 8.3410000 0.0201159
|
|
16 4.1120000 -0.0002488
|
|
S 16
|
|
1 6297000.0000000 -0.0000004
|
|
2 943100.0000000 -0.0000034
|
|
3 214900.0000000 -0.0000179
|
|
4 61250.0000000 -0.0000744
|
|
5 20450.0000000 -0.0002587
|
|
6 7719.0000000 -0.0007777
|
|
7 3198.0000000 -0.0021396
|
|
8 1402.0000000 -0.0055906
|
|
9 637.2000000 -0.0139076
|
|
10 298.9000000 -0.0317689
|
|
11 144.3000000 -0.0659302
|
|
12 71.2100000 -0.1168320
|
|
13 35.7300000 -0.1597870
|
|
14 17.9700000 -0.0945322
|
|
15 8.3410000 0.1878280
|
|
16 4.1120000 0.5046830
|
|
S 16
|
|
1 6297000.0000000 0.0000001
|
|
2 943100.0000000 0.0000010
|
|
3 214900.0000000 0.0000052
|
|
4 61250.0000000 0.0000216
|
|
5 20450.0000000 0.0000751
|
|
6 7719.0000000 0.0002258
|
|
7 3198.0000000 0.0006217
|
|
8 1402.0000000 0.0016251
|
|
9 637.2000000 0.0040535
|
|
10 298.9000000 0.0092902
|
|
11 144.3000000 0.0194561
|
|
12 71.2100000 0.0350040
|
|
13 35.7300000 0.0494897
|
|
14 17.9700000 0.0303443
|
|
15 8.3410000 -0.0663661
|
|
16 4.1120000 -0.2231540
|
|
S 1
|
|
1 2.0450000 1.0000000
|
|
S 1
|
|
1 0.9770000 1.0000000
|
|
S 1
|
|
1 0.4766000 1.0000000
|
|
S 1
|
|
1 0.2185000 1.0000000
|
|
S 1
|
|
1 0.0975900 1.0000000
|
|
P 9
|
|
1 5266.0000000 0.0000523
|
|
2 1247.0000000 0.0004635
|
|
3 405.0000000 0.0026410
|
|
4 154.8000000 0.0113169
|
|
5 65.3800000 0.0384704
|
|
6 29.5900000 0.1043390
|
|
7 14.0400000 0.2156840
|
|
8 6.8240000 0.3252600
|
|
9 3.3690000 0.3261780
|
|
P 9
|
|
1 5266.0000000 -0.0000133
|
|
2 1247.0000000 -0.0001179
|
|
3 405.0000000 -0.0006759
|
|
4 154.8000000 -0.0028973
|
|
5 65.3800000 -0.0099980
|
|
6 29.5900000 -0.0275416
|
|
7 14.0400000 -0.0587943
|
|
8 6.8240000 -0.0903761
|
|
9 3.3690000 -0.0999891
|
|
P 1
|
|
1 1.6660000 1.0000000
|
|
P 1
|
|
1 0.7681000 1.0000000
|
|
P 1
|
|
1 0.3504000 1.0000000
|
|
P 1
|
|
1 0.1556000 1.0000000
|
|
P 1
|
|
1 0.0668100 1.0000000
|
|
D 1
|
|
1 5.0755000 1.0000000
|
|
D 1
|
|
1 2.1833000 1.0000000
|
|
D 1
|
|
1 0.9392000 1.0000000
|
|
D 1
|
|
1 0.4040000 1.0000000
|
|
D 1
|
|
1 0.1738000 1.0000000
|
|
F 1
|
|
1 2.2120000 1.0000000
|
|
F 1
|
|
1 1.0630000 1.0000000
|
|
F 1
|
|
1 0.5100000 1.0000000
|
|
F 1
|
|
1 0.2450000 1.0000000
|
|
G 1
|
|
1 1.3473000 1.0000000
|
|
G 1
|
|
1 0.7009000 1.0000000
|
|
G 1
|
|
1 0.3647000 1.0000000
|
|
H 1
|
|
1 1.2861000 1.0000000
|
|
H 1
|
|
1 0.6115000 1.0000000
|
|
I 1
|
|
1 1.0409000 1.0000000
|
|
|
|
CHLORINE
|
|
S 16
|
|
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3 263700.0000000 0.58586500E-04
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8 1684.0000000 0.18456400E-01
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|
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|
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|
14 21.5500000 0.16220900
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|
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|
S 16
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|
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2 1158000.0000000 -0.31244800E-05
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3 263700.0000000 -0.16429000E-04
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|
|
14 21.5500000 -0.10923400
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|
15 10.0500000 0.16299900
|
|
16 4.9780000 0.50141300
|
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S 16
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|
1 7733000.0000000 0.12169600E-06
|
|
2 1158000.0000000 0.94514100E-06
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3 263700.0000000 0.49711900E-05
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4 75010.0000000 0.20732300E-04
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5 24890.0000000 0.72940200E-04
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6 9318.0000000 0.22189900E-03
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8 1684.0000000 0.15933700E-02
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9 766.3000000 0.39800100E-02
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10 359.5000000 0.91937500E-02
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|
12 85.6100000 0.35518700E-01
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|
13 42.9300000 0.52067400E-01
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|
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|
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|
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S 1
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S 1
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P 9
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2 1442.0000000 0.45846800E-03
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3 468.3000000 0.26150900E-02
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4 179.0000000 0.11255400E-01
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5 75.6100000 0.38457700E-01
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6 34.2200000 0.10508100E+00
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|
9 3.8980000 -0.10587000E+00
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ARGON
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S 16
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|
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|
13 50.0700000 -0.1622930
|
|
14 25.1400000 -0.1184120
|
|
15 11.8100000 0.1461480
|
|
16 5.8820000 0.4977520
|
|
S 16
|
|
1 9149000.0000000 0.0000001
|
|
2 1370000.0000000 0.0000009
|
|
3 311900.0000000 0.0000049
|
|
4 88650.0000000 0.0000204
|
|
5 29330.0000000 0.0000720
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|
6 10930.0000000 0.0002210
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|
7 4480.0000000 0.0006125
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|
8 1962.0000000 0.0015908
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|
9 894.1000000 0.0039722
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10 419.6000000 0.0092204
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|
11 202.3000000 0.0196367
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|
12 99.8400000 0.0362570
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13 50.0700000 0.0541725
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|
14 25.1400000 0.0409996
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15 11.8100000 -0.0551744
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|
16 5.8820000 -0.2387540
|
|
S 1
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|
1 2.9390000 1.0000000
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|
S 1
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1 1.4050000 1.0000000
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S 1
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1 0.6963000 1.0000000
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S 1
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1 0.3188000 1.0000000
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S 1
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1 0.1410000 1.0000000
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P 9
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|
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2 1669.0000000 0.0004454
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3 542.1000000 0.0025480
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4 207.1000000 0.0110155
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5 87.5200000 0.0378490
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6 39.6100000 0.1043550
|
|
7 18.7800000 0.2193350
|
|
8 9.1300000 0.3346150
|
|
9 4.5160000 0.3267710
|
|
P 9
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|
1 7050.0000000 -0.0000140
|
|
2 1669.0000000 -0.0001243
|
|
3 542.1000000 -0.0007147
|
|
4 207.1000000 -0.0030968
|
|
5 87.5200000 -0.0107961
|
|
6 39.6100000 -0.0303536
|
|
7 18.7800000 -0.0659785
|
|
8 9.1300000 -0.1038770
|
|
9 4.5160000 -0.1099560
|
|
P 1
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|
1 2.2450000 1.0000000
|
|
P 1
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|
1 1.0650000 1.0000000
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P 1
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|
1 0.4885000 1.0000000
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P 1
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|
1 0.2166000 1.0000000
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P 1
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|
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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