mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 13:53:29 +01:00
203 lines
6.8 KiB
Plaintext
203 lines
6.8 KiB
Plaintext
HYDROGEN
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S 3
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1 19.2384000 0.0328280
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2 2.8987000 0.2312040
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3 0.6535000 0.8172260
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S 1
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1 0.1776000 1.0000000
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P 1
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1 1.0000000 1.0000000
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LITHIUM
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S 7
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1 921.3000000 0.0013670
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2 138.7000000 0.0104250
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3 31.9400000 0.0498590
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4 9.3530000 0.1607010
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5 3.1580000 0.3446040
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6 1.1570000 0.4251970
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7 0.4446000 0.1694680
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S 2
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1 0.4446000 -0.2223110
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2 0.0766600 1.1164770
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S 1
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1 0.0286400 1.0000000
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P 3
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1 1.4880000 0.0387700
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2 0.2667000 0.2362570
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3 0.0720100 0.8304480
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P 1
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1 0.0237000 1.0000000
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D 1
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1 0.2000000 1.0000000
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BERYLLIUM
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S 7
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1 1741.0000000 0.0013050
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2 262.1000000 0.0099550
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3 60.3300000 0.0480310
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4 17.6200000 0.1585770
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5 5.9330000 0.3513250
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6 2.1850000 0.4270060
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7 0.8590000 0.1604900
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S 2
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1 2.1850000 -0.1852940
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2 0.1806000 1.0570140
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S 1
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1 0.0583500 1.0000000
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P 4
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1 6.7100000 0.0163780
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2 1.4420000 0.0915530
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3 0.4103000 0.3414690
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4 0.1397000 0.6854280
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P 1
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1 0.0492200 1.0000000
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D 1
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1 0.4000000 1.0000000
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BORON
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S 7
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1 2788.0000000 0.0012880
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2 419.0000000 0.0098350
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3 96.4700000 0.0476480
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4 28.0700000 0.1600690
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5 9.3760000 0.3628940
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6 3.4060000 0.4335820
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7 1.3060000 0.1400820
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S 2
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1 3.4060000 -0.1793300
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2 0.3245000 1.0625940
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S 1
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1 0.1022000 1.0000000
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P 4
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1 11.3400000 0.0179880
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2 2.4360000 0.1103430
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3 0.6836000 0.3830720
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4 0.2134000 0.6478950
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P 1
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1 0.0701100 1.0000000
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D 1
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1 0.7000000 1.0000000
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CARBON
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S 7
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1 4233.0000000 0.0012200
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2 634.9000000 0.0093420
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3 146.1000000 0.0454520
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4 42.5000000 0.1546570
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5 14.1900000 0.3588660
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6 5.1480000 0.4386320
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7 1.9670000 0.1459180
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S 2
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1 5.1480000 -0.1683670
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2 0.4962000 1.0600910
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S 1
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1 0.1533000 1.0000000
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P 4
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1 18.1600000 0.0185390
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2 3.9860000 0.1154360
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3 1.1430000 0.3861880
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4 0.3594000 0.6401140
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P 1
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1 0.1146000 1.0000000
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D 1
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1 0.7500000 1.0000000
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NITROGEN
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S 7
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1 5909.0000000 0.0011900
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2 887.5000000 0.0090990
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3 204.7000000 0.0441450
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4 59.8400000 0.1504640
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5 20.0000000 0.3567410
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6 7.1930000 0.4465330
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7 2.6860000 0.1456030
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S 2
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1 7.1930000 -0.1604050
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2 0.7000000 1.0582150
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S 1
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1 0.2133000 1.0000000
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P 4
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1 26.7900000 0.0182540
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2 5.9560000 0.1164610
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3 1.7070000 0.3901780
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4 0.5314000 0.6371020
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P 1
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1 0.1654000 1.0000000
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D 1
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1 0.8000000 1.0000000
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OXYGEN
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S 7
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1 7817.0000000 0.0011760
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2 1176.0000000 0.0089680
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3 273.2000000 0.0428680
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4 81.1700000 0.1439300
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5 27.1800000 0.3556300
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6 9.5320000 0.4612480
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7 3.4140000 0.1402060
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S 2
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1 9.5320000 -0.1541530
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2 0.9398000 1.0569140
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S 1
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1 0.2846000 1.0000000
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P 4
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1 35.1800000 0.0195800
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2 7.9040000 0.1242000
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3 2.3050000 0.3947140
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4 0.7171000 0.6273760
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P 1
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1 0.2137000 1.0000000
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D 1
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1 0.8500000 1.0000000
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FLUORINE
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S 7
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1 9995.0000000 0.0011660
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2 1506.0000000 0.0088760
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3 350.3000000 0.0423800
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4 104.1000000 0.1429290
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5 34.8400000 0.3553720
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6 12.2200000 0.4620850
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7 4.3690000 0.1408480
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S 2
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1 12.2200000 -0.1484520
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2 1.2080000 1.0552700
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S 1
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1 0.3634000 1.0000000
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P 4
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1 44.3600000 0.0208760
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2 10.0800000 0.1301070
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3 2.9960000 0.3961660
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4 0.9383000 0.6204040
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P 1
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1 0.2733000 1.0000000
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D 1
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1 0.9000000 1.0000000
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NEON
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S 7
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1 12100.0000000 0.0012000
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2 1821.0000000 0.0090920
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3 432.8000000 0.0413050
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4 132.5000000 0.1378670
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5 43.7700000 0.3624330
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6 14.9100000 0.4722470
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7 5.1270000 0.1300350
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S 2
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1 14.9100000 -0.1408100
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2 1.4910000 1.0533270
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S 1
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1 0.4468000 1.0000000
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P 4
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1 56.4500000 0.0208750
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2 12.9200000 0.1300320
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3 3.8650000 0.3956790
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4 1.2030000 0.6214500
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P 1
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1 0.3444000 1.0000000
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D 1
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1 0.9500000 1.0000000
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