mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-24 13:23:41 +01:00
171 lines
4.8 KiB
Plaintext
171 lines
4.8 KiB
Plaintext
HYDROGEN
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S 3
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1 127.9500000 0.0107360
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2 19.2406000 0.1195440
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3 2.8992000 0.9264160
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S 1
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1 0.6534000 1.0000000
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S 1
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1 0.1776000 1.0000000
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S 1
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1 0.0483000 1.0000000
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P 1
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1 1.0000000 1.0000000
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BORON
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S 5
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1 2788.4100000 0.0021220
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2 419.0390000 0.0161710
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3 96.4683000 0.0783560
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4 28.0694000 0.2632500
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5 9.3760000 0.5967290
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S 1
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1 1.3057000 1.0000000
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S 1
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1 3.4062000 1.0000000
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S 1
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1 0.3245000 1.0000000
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S 1
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1 0.1022000 1.0000000
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S 1
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1 0.0330000 1.0000000
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P 4
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1 11.3413000 0.0179870
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2 2.4360000 0.1103390
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3 0.6836000 0.3831110
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4 0.2134000 0.6478600
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P 1
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1 0.0701000 1.0000000
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P 1
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1 0.0226000 1.0000000
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D 1
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1 0.1600000 1.0000000
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D 1
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1 0.6400000 1.0000000
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CARBON
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S 5
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1 5909.4400000 0.0020040
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2 887.4510000 0.0153100
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3 204.7490000 0.0742930
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4 59.8376000 0.2533640
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5 19.9981000 0.6005760
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S 1
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1 2.6860000 1.0000000
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S 1
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1 7.1927000 1.0000000
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S 1
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1 0.7000000 1.0000000
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S 1
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1 0.2133000 1.0000000
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S 1
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1 0.0667000 1.0000000
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P 4
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1 26.7860000 0.0182570
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2 5.9564000 0.1164070
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3 1.7074000 0.3901110
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4 0.5314000 0.6372210
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P 1
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1 0.1654000 1.0000000
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P 1
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1 0.0517000 1.0000000
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D 1
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1 0.3700000 1.0000000
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D 1
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1 1.4800000 1.0000000
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NITROGEN
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S 5
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1 5909.4400000 0.0020040
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2 887.4510000 0.0153100
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3 204.7490000 0.0742930
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4 59.8376000 0.2533640
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5 19.9981000 0.6005760
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S 1
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1 2.6860000 1.0000000
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S 1
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1 7.1927000 1.0000000
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S 1
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1 0.7000000 1.0000000
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S 1
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1 0.2133000 1.0000000
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S 1
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1 0.0667000 1.0000000
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P 4
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1 26.7860000 0.0182570
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2 5.9564000 0.1164070
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3 1.7074000 0.3901110
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4 0.5314000 0.6372210
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P 1
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1 0.1654000 1.0000000
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P 1
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1 0.0517000 1.0000000
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D 1
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1 0.3700000 1.0000000
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D 1
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1 1.4800000 1.0000000
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OXYGEN
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S 5
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1 7816.5400000 0.0020310
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2 1175.8200000 0.0154360
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3 273.1880000 0.0737710
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4 81.1696000 0.2476060
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5 27.1836000 0.6118320
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S 1
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1 3.4136000 1.0000000
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S 1
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1 9.5322000 1.0000000
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S 1
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1 0.9398000 1.0000000
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S 1
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1 0.2846000 1.0000000
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S 1
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1 0.0862000 1.0000000
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P 4
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1 35.1832000 0.0195800
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2 7.9040000 0.1241890
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3 2.3051000 0.3947270
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4 0.7171000 0.6273750
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P 1
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1 0.2137000 1.0000000
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P 1
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1 0.0648000 1.0000000
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D 1
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1 0.5500000 1.0000000
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D 1
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1 2.2000000 1.0000000
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FLUORINE
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S 5
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1 9994.7900000 0.0020170
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2 1506.0300000 0.0152950
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3 350.2690000 0.0731100
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4 104.0530000 0.2464200
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5 34.8432000 0.6125930
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S 1
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1 4.3688000 1.0000000
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S 1
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1 12.2164000 1.0000000
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S 1
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1 1.2078000 1.0000000
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S 1
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1 0.3634000 1.0000000
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S 1
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1 0.1101000 1.0000000
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P 4
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1 44.3555000 0.0208680
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2 10.0820000 0.1300920
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3 2.9959000 0.3962190
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4 0.9383000 0.6203680
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P 1
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1 0.2733000 1.0000000
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P 1
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1 0.0828000 1.0000000
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D 1
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1 0.6650000 1.0000000
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D 1
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1 2.6600000 1.0000000
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