mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-06 22:24:00 +01:00
910 lines
36 KiB
Plaintext
910 lines
36 KiB
Plaintext
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LITHIUM
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S 8
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1 1469.0000000 0.0007660
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2 220.5000000 0.0058920
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3 50.2600000 0.0296710
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4 14.2400000 0.1091800
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5 4.5810000 0.2827890
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6 1.5800000 0.4531230
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7 0.5640000 0.2747740
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8 0.0734500 0.0097510
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S 8
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1 1469.0000000 -0.0001200
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2 220.5000000 -0.0009230
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3 50.2600000 -0.0046890
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4 14.2400000 -0.0176820
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5 4.5810000 -0.0489020
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6 1.5800000 -0.0960090
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7 0.5640000 -0.1363800
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8 0.0734500 0.5751020
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S 1
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1 0.0280500 1.0000000
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S 1
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1 0.9060000 1.0000000
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P 3
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1 1.5340000 0.0227840
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2 0.2749000 0.1391070
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3 0.0736200 0.5003750
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P 1
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1 0.0240300 1.0000000
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P 1
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1 3.2420000 1.0000000
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D 1
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1 0.1239000 1.0000000
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BERYLLIUM
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S 8
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1 2940.0000000 0.0006800
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2 441.2000000 0.0052360
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3 100.5000000 0.0266060
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4 28.4300000 0.0999930
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5 9.1690000 0.2697020
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6 3.1960000 0.4514690
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7 1.1590000 0.2950740
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8 0.1811000 0.0125870
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S 8
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1 2940.0000000 -0.0001230
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2 441.2000000 -0.0009660
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3 100.5000000 -0.0048310
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4 28.4300000 -0.0193140
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5 9.1690000 -0.0532800
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6 3.1960000 -0.1207230
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7 1.1590000 -0.1334350
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8 0.1811000 0.5307670
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S 1
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1 0.0589000 1.0000000
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S 1
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1 1.8600000 1.0000000
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P 3
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1 3.6190000 0.0291110
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2 0.7110000 0.1693650
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3 0.1951000 0.5134580
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P 1
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1 0.0601800 1.0000000
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P 1
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1 6.1630000 1.0000000
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D 1
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1 0.2380000 1.0000000
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BORON
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S 8
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1 4570.0000000 0.0006960
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2 685.9000000 0.0053530
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3 156.5000000 0.0271340
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4 44.4700000 0.1013800
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5 14.4800000 0.2720550
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6 5.1310000 0.4484030
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7 1.8980000 0.2901230
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8 0.3329000 0.0143220
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S 8
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1 4570.0000000 -0.0001390
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2 685.9000000 -0.0010970
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3 156.5000000 -0.0054440
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4 44.4700000 -0.0219160
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5 14.4800000 -0.0597510
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6 5.1310000 -0.1387320
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7 1.8980000 -0.1314820
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8 0.3329000 0.5395260
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S 1
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1 0.1043000 1.0000000
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S 1
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1 3.0660000 1.0000000
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P 3
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1 6.0010000 0.0354810
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2 1.2410000 0.1980720
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3 0.3364000 0.5052300
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P 1
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1 0.0953800 1.0000000
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P 1
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1 9.9400000 1.0000000
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D 1
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1 0.3430000 1.0000000
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CARBON
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S 8
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1 6665.0000000 0.0006920
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2 1000.0000000 0.0053290
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3 228.0000000 0.0270770
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4 64.7100000 0.1017180
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5 21.0600000 0.2747400
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6 7.4950000 0.4485640
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7 2.7970000 0.2850740
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8 0.5215000 0.0152040
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S 8
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1 6665.0000000 -0.0001460
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2 1000.0000000 -0.0011540
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3 228.0000000 -0.0057250
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4 64.7100000 -0.0233120
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5 21.0600000 -0.0639550
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6 7.4950000 -0.1499810
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7 2.7970000 -0.1272620
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8 0.5215000 0.5445290
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S 1
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1 0.1596000 1.0000000
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S 1
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1 4.5300000 1.0000000
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P 3
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1 9.4390000 0.0381090
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2 2.0020000 0.2094800
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3 0.5456000 0.5085570
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P 1
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1 0.1517000 1.0000000
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P 1
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1 14.5570000 1.0000000
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D 1
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1 0.5500000 1.0000000
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NITROGEN
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S 8
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1 9046.0000000 0.0007000
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2 1357.0000000 0.0053890
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3 309.3000000 0.0274060
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4 87.7300000 0.1032070
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5 28.5600000 0.2787230
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6 10.2100000 0.4485400
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7 3.8380000 0.2782380
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8 0.7466000 0.0154400
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S 8
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1 9046.0000000 -0.0001530
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2 1357.0000000 -0.0012080
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3 309.3000000 -0.0059920
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4 87.7300000 -0.0245440
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5 28.5600000 -0.0674590
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6 10.2100000 -0.1580780
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7 3.8380000 -0.1218310
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8 0.7466000 0.5490030
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S 1
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1 0.2248000 1.0000000
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S 1
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1 6.2330000 1.0000000
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P 3
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1 13.5500000 0.0399190
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2 2.9170000 0.2171690
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3 0.7973000 0.5103190
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P 1
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1 0.2185000 1.0000000
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P 1
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1 19.9770000 1.0000000
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D 1
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1 0.8170000 1.0000000
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OXYGEN
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S 8
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1 11720.0000000 0.0007100
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2 1759.0000000 0.0054700
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3 400.8000000 0.0278370
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4 113.7000000 0.1048000
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5 37.0300000 0.2830620
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6 13.2700000 0.4487190
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7 5.0250000 0.2709520
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8 1.0130000 0.0154580
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S 8
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1 11720.0000000 -0.0001600
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2 1759.0000000 -0.0012630
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3 400.8000000 -0.0062670
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4 113.7000000 -0.0257160
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5 37.0300000 -0.0709240
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6 13.2700000 -0.1654110
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7 5.0250000 -0.1169550
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8 1.0130000 0.5573680
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S 1
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1 0.3023000 1.0000000
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S 1
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1 8.2150000 1.0000000
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P 3
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1 17.7000000 0.0430180
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2 3.8540000 0.2289130
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3 1.0460000 0.5087280
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P 1
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1 0.2753000 1.0000000
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P 1
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1 26.0560000 1.0000000
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D 1
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1 1.1850000 1.0000000
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FLUORINE
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S 8
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1 14710.0000000 0.0007210
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2 2207.0000000 0.0055530
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3 502.8000000 0.0282670
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4 142.6000000 0.1064440
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5 46.4700000 0.2868140
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6 16.7000000 0.4486410
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7 6.3560000 0.2647610
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8 1.3160000 0.0153330
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S 8
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1 14710.0000000 -0.0001650
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2 2207.0000000 -0.0013080
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3 502.8000000 -0.0064950
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4 142.6000000 -0.0266910
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5 46.4700000 -0.0736900
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6 16.7000000 -0.1707760
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7 6.3560000 -0.1123270
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8 1.3160000 0.5628140
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S 1
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1 0.3897000 1.0000000
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S 1
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1 10.4260000 1.0000000
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P 3
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1 22.6700000 0.0448780
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2 4.9770000 0.2357180
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3 1.3470000 0.5085210
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P 1
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1 0.3471000 1.0000000
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P 1
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1 32.8300000 1.0000000
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D 1
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1 1.6400000 1.0000000
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NEON
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S 8
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1 17880.0000000 0.0007380
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2 2683.0000000 0.0056770
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3 611.5000000 0.0288830
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4 173.5000000 0.1085400
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5 56.6400000 0.2909070
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6 20.4200000 0.4483240
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7 7.8100000 0.2580260
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8 1.6530000 0.0150630
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S 8
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1 17880.0000000 -0.0001720
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2 2683.0000000 -0.0013570
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3 611.5000000 -0.0067370
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4 173.5000000 -0.0276630
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5 56.6400000 -0.0762080
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6 20.4200000 -0.1752270
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7 7.8100000 -0.1070380
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8 1.6530000 0.5670500
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S 1
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1 0.4869000 1.0000000
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S 1
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1 12.8540000 1.0000000
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P 3
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1 28.3900000 0.0460870
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2 6.2700000 0.2401810
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3 1.6950000 0.5087440
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P 1
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1 0.4317000 1.0000000
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P 1
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1 40.1840000 1.0000000
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D 1
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1 2.2020000 1.0000000
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SODIUM
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S 11
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1 31700.0000000 0.458878D-03
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2 4755.0000000 0.355070D-02
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3 1082.0000000 0.182618D-01
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4 306.4000000 0.716650D-01
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5 99.5300000 0.212346D+00
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6 35.4200000 0.416203D+00
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7 13.3000000 0.373020D+00
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8 4.3920000 0.625054D-01
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9 1.6760000 -0.624532D-02
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10 0.5889000 0.243374D-02
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11 0.0564000 -0.442381D-03
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S 11
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1 31700.0000000 -0.112162D-03
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2 4755.0000000 -0.868512D-03
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3 1082.0000000 -0.451330D-02
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4 306.4000000 -0.181436D-01
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5 99.5300000 -0.580799D-01
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6 35.4200000 -0.137653D+00
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7 13.3000000 -0.193908D+00
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8 4.3920000 0.858009D-01
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9 1.6760000 0.604419D+00
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10 0.5889000 0.441719D+00
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11 0.0564000 0.130547D-01
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S 11
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1 31700.0000000 0.170160D-04
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2 4755.0000000 0.130693D-03
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3 1082.0000000 0.687784D-03
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4 306.4000000 0.272359D-02
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5 99.5300000 0.895529D-02
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6 35.4200000 0.207832D-01
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7 13.3000000 0.319380D-01
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8 4.3920000 -0.191368D-01
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9 1.6760000 -0.102595D+00
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10 0.5889000 -0.198945D+00
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11 0.0564000 0.655952D+00
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S 1
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1 0.0230700 1.0000000
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S 1
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1 0.7040000 1.0000000
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P 7
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1 138.1000000 0.579641D-02
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2 32.2400000 0.415756D-01
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3 9.9850000 0.162873D+00
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4 3.4840000 0.359401D+00
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5 1.2310000 0.449988D+00
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6 0.4177000 0.227507D+00
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7 0.0651300 0.808247D-02
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P 7
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1 138.1000000 -0.581531D-03
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2 32.2400000 -0.407306D-02
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3 9.9850000 -0.167937D-01
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4 3.4840000 -0.353268D-01
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5 1.2310000 -0.521971D-01
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6 0.4177000 -0.168359D-01
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7 0.0651300 0.434613D+00
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P 1
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1 0.0205300 1.0000000
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P 1
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1 0.7610000 1.0000000
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D 1
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1 0.0973000 1.0000000
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D 1
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1 2.9490000 1.0000000
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MAGNESIUM
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S 11
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1 47390.0000000 0.346023D-03
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2 7108.0000000 0.268077D-02
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3 1618.0000000 0.138367D-01
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4 458.4000000 0.551767D-01
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5 149.3000000 0.169660D+00
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6 53.5900000 0.364703D+00
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7 20.7000000 0.406856D+00
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8 8.3840000 0.135089D+00
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9 2.5420000 0.490884D-02
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10 0.8787000 0.286460D-03
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11 0.1077000 0.264590D-04
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S 11
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1 47390.0000000 -0.877839D-04
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2 7108.0000000 -0.674725D-03
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3 1618.0000000 -0.355603D-02
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4 458.4000000 -0.142154D-01
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5 149.3000000 -0.476748D-01
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6 53.5900000 -0.114892D+00
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7 20.7000000 -0.200676D+00
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8 8.3840000 -0.341224D-01
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9 2.5420000 0.570454D+00
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10 0.8787000 0.542309D+00
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|
|
11 0.1077000 0.218128D-01
|
||
|
|
S 11
|
||
|
|
1 47390.0000000 0.169628D-04
|
||
|
|
2 7108.0000000 0.129865D-03
|
||
|
|
3 1618.0000000 0.688831D-03
|
||
|
|
4 458.4000000 0.273533D-02
|
||
|
|
5 149.3000000 0.931224D-02
|
||
|
|
6 53.5900000 0.223265D-01
|
||
|
|
7 20.7000000 0.411195D-01
|
||
|
|
8 8.3840000 0.545642D-02
|
||
|
|
9 2.5420000 -0.134012D+00
|
||
|
|
10 0.8787000 -0.256176D+00
|
||
|
|
11 0.1077000 0.605856D+00
|
||
|
|
S 1
|
||
|
|
1 0.0399900 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.4220000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 179.9000000 0.538161D-02
|
||
|
|
2 42.1400000 0.392418D-01
|
||
|
|
3 13.1300000 0.157445D+00
|
||
|
|
4 4.6280000 0.358535D+00
|
||
|
|
5 1.6700000 0.457226D+00
|
||
|
|
6 0.5857000 0.215918D+00
|
||
|
|
7 0.1311000 0.664948D-02
|
||
|
|
P 7
|
||
|
|
1 179.9000000 -0.865948D-03
|
||
|
|
2 42.1400000 -0.615978D-02
|
||
|
|
3 13.1300000 -0.261519D-01
|
||
|
|
4 4.6280000 -0.570647D-01
|
||
|
|
5 1.6700000 -0.873906D-01
|
||
|
|
6 0.5857000 -0.122990D-01
|
||
|
|
7 0.1311000 0.502085D+00
|
||
|
|
P 1
|
||
|
|
1 0.0411200 1.0000000
|
||
|
|
P 1
|
||
|
|
1 8.2790000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1870000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.7040000 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 11
|
||
|
|
1 64150.0000000 0.290250D-03
|
||
|
|
2 9617.0000000 0.225064D-02
|
||
|
|
3 2189.0000000 0.116459D-01
|
||
|
|
4 620.5000000 0.467377D-01
|
||
|
|
5 202.7000000 0.146299D+00
|
||
|
|
6 73.1500000 0.330283D+00
|
||
|
|
7 28.5500000 0.415861D+00
|
||
|
|
8 11.7700000 0.189253D+00
|
||
|
|
9 3.3000000 0.115889D-01
|
||
|
|
10 1.1730000 -0.128385D-02
|
||
|
|
11 0.1752000 0.425883D-03
|
||
|
|
S 11
|
||
|
|
1 64150.0000000 -0.758048D-04
|
||
|
|
2 9617.0000000 -0.581791D-03
|
||
|
|
3 2189.0000000 -0.308113D-02
|
||
|
|
4 620.5000000 -0.123112D-01
|
||
|
|
5 202.7000000 -0.419781D-01
|
||
|
|
6 73.1500000 -0.103371D+00
|
||
|
|
7 28.5500000 -0.196308D+00
|
||
|
|
8 11.7700000 -0.830002D-01
|
||
|
|
9 3.3000000 0.541040D+00
|
||
|
|
10 1.1730000 0.578796D+00
|
||
|
|
11 0.1752000 0.288147D-01
|
||
|
|
S 11
|
||
|
|
1 64150.0000000 0.175078D-04
|
||
|
|
2 9617.0000000 0.134208D-03
|
||
|
|
3 2189.0000000 0.712442D-03
|
||
|
|
4 620.5000000 0.284330D-02
|
||
|
|
5 202.7000000 0.976842D-02
|
||
|
|
6 73.1500000 0.241850D-01
|
||
|
|
7 28.5500000 0.474993D-01
|
||
|
|
8 11.7700000 0.203621D-01
|
||
|
|
9 3.3000000 -0.158788D+00
|
||
|
|
10 1.1730000 -0.311694D+00
|
||
|
|
11 0.1752000 0.620147D+00
|
||
|
|
S 1
|
||
|
|
1 0.0647300 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.0300000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 258.8000000 0.406847D-02
|
||
|
|
2 60.8900000 0.306815D-01
|
||
|
|
3 19.1400000 0.129149D+00
|
||
|
|
4 6.8810000 0.320831D+00
|
||
|
|
5 2.5740000 0.453815D+00
|
||
|
|
6 0.9572000 0.275066D+00
|
||
|
|
7 0.2099000 0.190807D-01
|
||
|
|
P 7
|
||
|
|
1 258.8000000 -0.748053D-03
|
||
|
|
2 60.8900000 -0.545796D-02
|
||
|
|
3 19.1400000 -0.245371D-01
|
||
|
|
4 6.8810000 -0.582138D-01
|
||
|
|
5 2.5740000 -0.983756D-01
|
||
|
|
6 0.9572000 -0.260064D-01
|
||
|
|
7 0.2099000 0.464020D+00
|
||
|
|
P 1
|
||
|
|
1 0.0598600 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.5290000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1890000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.7250000 1.0000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 11
|
||
|
|
1 78860.0000000 0.270443D-03
|
||
|
|
2 11820.0000000 0.209717D-02
|
||
|
|
3 2692.0000000 0.108506D-01
|
||
|
|
4 763.4000000 0.436754D-01
|
||
|
|
5 249.6000000 0.137653D+00
|
||
|
|
6 90.2800000 0.316644D+00
|
||
|
|
7 35.2900000 0.418581D+00
|
||
|
|
8 14.5100000 0.210212D+00
|
||
|
|
9 4.0530000 0.144952D-01
|
||
|
|
10 1.4820000 -0.203590D-02
|
||
|
|
11 0.2517000 0.624186D-03
|
||
|
|
S 11
|
||
|
|
1 78860.0000000 -0.723177D-04
|
||
|
|
2 11820.0000000 -0.555116D-03
|
||
|
|
3 2692.0000000 -0.293805D-02
|
||
|
|
4 763.4000000 -0.117687D-01
|
||
|
|
5 249.6000000 -0.402907D-01
|
||
|
|
6 90.2800000 -0.100609D+00
|
||
|
|
7 35.2900000 -0.196528D+00
|
||
|
|
8 14.5100000 -0.102382D+00
|
||
|
|
9 4.0530000 0.527190D+00
|
||
|
|
10 1.4820000 0.593251D+00
|
||
|
|
11 0.2517000 0.332652D-01
|
||
|
|
S 11
|
||
|
|
1 78860.0000000 0.185113D-04
|
||
|
|
2 11820.0000000 0.142236D-03
|
||
|
|
3 2692.0000000 0.752185D-03
|
||
|
|
4 763.4000000 0.302279D-02
|
||
|
|
5 249.6000000 0.103677D-01
|
||
|
|
6 90.2800000 0.262563D-01
|
||
|
|
7 35.2900000 0.523989D-01
|
||
|
|
8 14.5100000 0.290959D-01
|
||
|
|
9 4.0530000 -0.178003D+00
|
||
|
|
10 1.4820000 -0.346874D+00
|
||
|
|
11 0.2517000 0.623020D+00
|
||
|
|
S 1
|
||
|
|
1 0.0924300 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.9590000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 315.9000000 0.392656D-02
|
||
|
|
2 74.4200000 0.298811D-01
|
||
|
|
3 23.4800000 0.127212D+00
|
||
|
|
4 8.4880000 0.320943D+00
|
||
|
|
5 3.2170000 0.455429D+00
|
||
|
|
6 1.2290000 0.268563D+00
|
||
|
|
7 0.2964000 0.188336D-01
|
||
|
|
P 7
|
||
|
|
1 315.9000000 -0.858302D-03
|
||
|
|
2 74.4200000 -0.630328D-02
|
||
|
|
3 23.4800000 -0.288255D-01
|
||
|
|
4 8.4880000 -0.694560D-01
|
||
|
|
5 3.2170000 -0.119493D+00
|
||
|
|
6 1.2290000 -0.199581D-01
|
||
|
|
7 0.2964000 0.510268D+00
|
||
|
|
P 1
|
||
|
|
1 0.0876800 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.9980000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2750000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.8060000 1.0000000
|
||
|
|
|
||
|
|
PHOSPHOROUS
|
||
|
|
S 11
|
||
|
|
1 94840.0000000 0.255509D-03
|
||
|
|
2 14220.0000000 0.198193D-02
|
||
|
|
3 3236.0000000 0.102760D-01
|
||
|
|
4 917.1000000 0.414823D-01
|
||
|
|
5 299.5000000 0.131984D+00
|
||
|
|
6 108.1000000 0.308662D+00
|
||
|
|
7 42.1800000 0.420647D+00
|
||
|
|
8 17.2800000 0.222878D+00
|
||
|
|
9 4.8580000 0.164035D-01
|
||
|
|
10 1.8180000 -0.254255D-02
|
||
|
|
11 0.3372000 0.748050D-03
|
||
|
|
S 11
|
||
|
|
1 94840.0000000 -0.696939D-04
|
||
|
|
2 14220.0000000 -0.535266D-03
|
||
|
|
3 3236.0000000 -0.283709D-02
|
||
|
|
4 917.1000000 -0.113983D-01
|
||
|
|
5 299.5000000 -0.392929D-01
|
||
|
|
6 108.1000000 -0.996364D-01
|
||
|
|
7 42.1800000 -0.197983D+00
|
||
|
|
8 17.2800000 -0.114860D+00
|
||
|
|
9 4.8580000 0.518595D+00
|
||
|
|
10 1.8180000 0.601847D+00
|
||
|
|
11 0.3372000 0.368612D-01
|
||
|
|
S 11
|
||
|
|
1 94840.0000000 0.191199D-04
|
||
|
|
2 14220.0000000 0.147223D-03
|
||
|
|
3 3236.0000000 0.777912D-03
|
||
|
|
4 917.1000000 0.314546D-02
|
||
|
|
5 299.5000000 0.108200D-01
|
||
|
|
6 108.1000000 0.279957D-01
|
||
|
|
7 42.1800000 0.563978D-01
|
||
|
|
8 17.2800000 0.358190D-01
|
||
|
|
9 4.8580000 -0.193387D+00
|
||
|
|
10 1.8180000 -0.372097D+00
|
||
|
|
11 0.3372000 0.624246D+00
|
||
|
|
S 1
|
||
|
|
1 0.1232000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 5.9770000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 370.5000000 0.395005D-02
|
||
|
|
2 87.3300000 0.302492D-01
|
||
|
|
3 27.5900000 0.129554D+00
|
||
|
|
4 10.0000000 0.327594D+00
|
||
|
|
5 3.8250000 0.456992D+00
|
||
|
|
6 1.4940000 0.253086D+00
|
||
|
|
7 0.3921000 0.168798D-01
|
||
|
|
P 7
|
||
|
|
1 370.5000000 -0.959832D-03
|
||
|
|
2 87.3300000 -0.711177D-02
|
||
|
|
3 27.5900000 -0.327122D-01
|
||
|
|
4 10.0000000 -0.795784D-01
|
||
|
|
5 3.8250000 -0.135016D+00
|
||
|
|
6 1.4940000 -0.910585D-02
|
||
|
|
7 0.3921000 0.537802D+00
|
||
|
|
P 1
|
||
|
|
1 0.1186000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 2.5240000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3730000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 7.0200000 1.0000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 11
|
||
|
|
1 110800.0000000 0.247635D-03
|
||
|
|
2 16610.0000000 0.192026D-02
|
||
|
|
3 3781.0000000 0.996192D-02
|
||
|
|
4 1071.0000000 0.402975D-01
|
||
|
|
5 349.8000000 0.128604D+00
|
||
|
|
6 126.3000000 0.303480D+00
|
||
|
|
7 49.2600000 0.421432D+00
|
||
|
|
8 20.1600000 0.230781D+00
|
||
|
|
9 5.7200000 0.178971D-01
|
||
|
|
10 2.1820000 -0.297516D-02
|
||
|
|
11 0.4327000 0.849522D-03
|
||
|
|
S 11
|
||
|
|
1 110800.0000000 -0.687039D-04
|
||
|
|
2 16610.0000000 -0.527681D-03
|
||
|
|
3 3781.0000000 -0.279671D-02
|
||
|
|
4 1071.0000000 -0.112651D-01
|
||
|
|
5 349.8000000 -0.388834D-01
|
||
|
|
6 126.3000000 -0.995025D-01
|
||
|
|
7 49.2600000 -0.199740D+00
|
||
|
|
8 20.1600000 -0.123360D+00
|
||
|
|
9 5.7200000 0.513194D+00
|
||
|
|
10 2.1820000 0.607120D+00
|
||
|
|
11 0.4327000 0.396753D-01
|
||
|
|
S 11
|
||
|
|
1 110800.0000000 0.199077D-04
|
||
|
|
2 16610.0000000 0.153483D-03
|
||
|
|
3 3781.0000000 0.809503D-03
|
||
|
|
4 1071.0000000 0.328974D-02
|
||
|
|
5 349.8000000 0.112967D-01
|
||
|
|
6 126.3000000 0.296385D-01
|
||
|
|
7 49.2600000 0.599851D-01
|
||
|
|
8 20.1600000 0.413248D-01
|
||
|
|
9 5.7200000 -0.207474D+00
|
||
|
|
10 2.1820000 -0.392889D+00
|
||
|
|
11 0.4327000 0.632840D+00
|
||
|
|
S 1
|
||
|
|
1 0.1570000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 7.0830000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 399.7000000 0.447541D-02
|
||
|
|
2 94.1900000 0.341708D-01
|
||
|
|
3 29.7500000 0.144250D+00
|
||
|
|
4 10.7700000 0.353928D+00
|
||
|
|
5 4.1190000 0.459085D+00
|
||
|
|
6 1.6250000 0.206383D+00
|
||
|
|
7 0.4726000 0.102141D-01
|
||
|
|
P 7
|
||
|
|
1 399.7000000 -0.116251D-02
|
||
|
|
2 94.1900000 -0.865664D-02
|
||
|
|
3 29.7500000 -0.390886D-01
|
||
|
|
4 10.7700000 -0.934625D-01
|
||
|
|
5 4.1190000 -0.147994D+00
|
||
|
|
6 1.6250000 0.301904D-01
|
||
|
|
7 0.4726000 0.561573D+00
|
||
|
|
P 1
|
||
|
|
1 0.1407000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.0890000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4790000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 8.3630000 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 11
|
||
|
|
1 127900.0000000 0.241153D-03
|
||
|
|
2 19170.0000000 0.187095D-02
|
||
|
|
3 4363.0000000 0.970827D-02
|
||
|
|
4 1236.0000000 0.393153D-01
|
||
|
|
5 403.6000000 0.125932D+00
|
||
|
|
6 145.7000000 0.299341D+00
|
||
|
|
7 56.8100000 0.421886D+00
|
||
|
|
8 23.2300000 0.237201D+00
|
||
|
|
9 6.6440000 0.191531D-01
|
||
|
|
10 2.5750000 -0.334792D-02
|
||
|
|
11 0.5371000 0.929883D-03
|
||
|
|
S 11
|
||
|
|
1 127900.0000000 -0.678922D-04
|
||
|
|
2 19170.0000000 -0.521836D-03
|
||
|
|
3 4363.0000000 -0.276513D-02
|
||
|
|
4 1236.0000000 -0.111537D-01
|
||
|
|
5 403.6000000 -0.385919D-01
|
||
|
|
6 145.7000000 -0.994848D-01
|
||
|
|
7 56.8100000 -0.201392D+00
|
||
|
|
8 23.2300000 -0.130313D+00
|
||
|
|
9 6.6440000 0.509443D+00
|
||
|
|
10 2.5750000 0.610725D+00
|
||
|
|
11 0.5371000 0.421549D-01
|
||
|
|
S 11
|
||
|
|
1 127900.0000000 0.204986D-04
|
||
|
|
2 19170.0000000 0.158298D-03
|
||
|
|
3 4363.0000000 0.833639D-03
|
||
|
|
4 1236.0000000 0.339880D-02
|
||
|
|
5 403.6000000 0.116738D-01
|
||
|
|
6 145.7000000 0.309622D-01
|
||
|
|
7 56.8100000 0.629533D-01
|
||
|
|
8 23.2300000 0.460257D-01
|
||
|
|
9 6.6440000 -0.219312D+00
|
||
|
|
10 2.5750000 -0.408773D+00
|
||
|
|
11 0.5371000 0.638465D+00
|
||
|
|
S 1
|
||
|
|
1 0.1938000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 8.2730000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 417.6000000 0.525982D-02
|
||
|
|
2 98.3300000 0.398332D-01
|
||
|
|
3 31.0400000 0.164655D+00
|
||
|
|
4 11.1900000 0.387322D+00
|
||
|
|
5 4.2490000 0.457072D+00
|
||
|
|
6 1.6240000 0.151636D+00
|
||
|
|
7 0.5322000 0.181615D-02
|
||
|
|
P 7
|
||
|
|
1 417.6000000 -0.143570D-02
|
||
|
|
2 98.3300000 -0.107796D-01
|
||
|
|
3 31.0400000 -0.470075D-01
|
||
|
|
4 11.1900000 -0.111030D+00
|
||
|
|
5 4.2490000 -0.153275D+00
|
||
|
|
6 1.6240000 0.894609D-01
|
||
|
|
7 0.5322000 0.579444D+00
|
||
|
|
P 1
|
||
|
|
1 0.1620000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.6970000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.6000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 9.8440000 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 11
|
||
|
|
1 145700.0000000 0.236700D-03
|
||
|
|
2 21840.0000000 0.183523D-02
|
||
|
|
3 4972.0000000 0.952860D-02
|
||
|
|
4 1408.0000000 0.386283D-01
|
||
|
|
5 459.7000000 0.124081D+00
|
||
|
|
6 165.9000000 0.296471D+00
|
||
|
|
7 64.6900000 0.422068D+00
|
||
|
|
8 26.4400000 0.241711D+00
|
||
|
|
9 7.6280000 0.200509D-01
|
||
|
|
10 2.9960000 -0.361000D-02
|
||
|
|
11 0.6504000 0.975607D-03
|
||
|
|
S 11
|
||
|
|
1 145700.0000000 -0.674910D-04
|
||
|
|
2 21840.0000000 -0.518522D-03
|
||
|
|
3 4972.0000000 -0.274825D-02
|
||
|
|
4 1408.0000000 -0.111007D-01
|
||
|
|
5 459.7000000 -0.384820D-01
|
||
|
|
6 165.9000000 -0.997599D-01
|
||
|
|
7 64.6900000 -0.203088D+00
|
||
|
|
8 26.4400000 -0.135608D+00
|
||
|
|
9 7.6280000 0.507195D+00
|
||
|
|
10 2.9960000 0.612898D+00
|
||
|
|
11 0.6504000 0.442968D-01
|
||
|
|
S 11
|
||
|
|
1 145700.0000000 0.210457D-04
|
||
|
|
2 21840.0000000 0.162565D-03
|
||
|
|
3 4972.0000000 0.855463D-03
|
||
|
|
4 1408.0000000 0.349745D-02
|
||
|
|
5 459.7000000 0.120156D-01
|
||
|
|
6 165.9000000 0.321368D-01
|
||
|
|
7 64.6900000 0.655279D-01
|
||
|
|
8 26.4400000 0.499370D-01
|
||
|
|
9 7.6280000 -0.229769D+00
|
||
|
|
10 2.9960000 -0.421006D+00
|
||
|
|
11 0.6504000 0.642331D+00
|
||
|
|
S 1
|
||
|
|
1 0.2337000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 9.5480000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 453.7000000 0.570555D-02
|
||
|
|
2 106.8000000 0.430460D-01
|
||
|
|
3 33.7300000 0.176591D+00
|
||
|
|
4 12.1300000 0.406863D+00
|
||
|
|
5 4.5940000 0.452549D+00
|
||
|
|
6 1.6780000 0.122801D+00
|
||
|
|
7 0.5909000 -0.445996D-02
|
||
|
|
P 7
|
||
|
|
1 453.7000000 -0.160655D-02
|
||
|
|
2 106.8000000 -0.121714D-01
|
||
|
|
3 33.7300000 -0.520789D-01
|
||
|
|
4 12.1300000 -0.123737D+00
|
||
|
|
5 4.5940000 -0.151619D+00
|
||
|
|
6 1.6780000 0.142425D+00
|
||
|
|
7 0.5909000 0.584501D+00
|
||
|
|
P 1
|
||
|
|
1 0.1852000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 4.3610000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7380000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 11.4590000 1.0000000
|
||
|
|
|
||
|
|
CALCIUM
|
||
|
|
S 13
|
||
|
|
1 190000.7000000 0.00022145
|
||
|
|
2 28481.4600000 0.00171830
|
||
|
|
3 6482.7010000 0.00892348
|
||
|
|
4 1835.8910000 0.03630183
|
||
|
|
5 598.7243000 0.11762223
|
||
|
|
6 215.8841000 0.28604352
|
||
|
|
7 84.0124200 0.42260708
|
||
|
|
8 34.2248800 0.25774366
|
||
|
|
9 10.0249700 0.02391893
|
||
|
|
10 4.0559200 -0.00495218
|
||
|
|
11 1.0202610 0.00171779
|
||
|
|
12 0.4268650 -0.00089209
|
||
|
|
13 0.0633470 0.00024510
|
||
|
|
S 13
|
||
|
|
1 190000.7000000 -0.00006453
|
||
|
|
2 28481.4600000 -0.00049662
|
||
|
|
3 6482.7010000 -0.00262826
|
||
|
|
4 1835.8910000 -0.01066845
|
||
|
|
5 598.7243000 -0.03713509
|
||
|
|
6 215.8841000 -0.09804284
|
||
|
|
7 84.0124200 -0.20342692
|
||
|
|
8 34.2248800 -0.15244655
|
||
|
|
9 10.0249700 0.48279406
|
||
|
|
10 4.0559200 0.62923839
|
||
|
|
11 1.0202610 0.06164842
|
||
|
|
12 0.4268650 -0.01479971
|
||
|
|
13 0.0633470 0.00361089
|
||
|
|
S 13
|
||
|
|
1 190000.7000000 0.00002223
|
||
|
|
2 28481.4600000 0.00017170
|
||
|
|
3 6482.7010000 0.00090452
|
||
|
|
4 1835.8910000 0.00370343
|
||
|
|
5 598.7243000 0.01283750
|
||
|
|
6 215.8841000 0.03475459
|
||
|
|
7 84.0124200 0.07303491
|
||
|
|
8 34.2248800 0.06100083
|
||
|
|
9 10.0249700 -0.24292928
|
||
|
|
10 4.0559200 -0.48708500
|
||
|
|
11 1.0202610 0.56502804
|
||
|
|
12 0.4268650 0.65574386
|
||
|
|
13 0.0633470 0.02672894
|
||
|
|
S 13
|
||
|
|
1 190000.7000000 0.00000531
|
||
|
|
2 28481.4600000 0.00004111
|
||
|
|
3 6482.7010000 0.00021568
|
||
|
|
4 1835.8910000 0.00088827
|
||
|
|
5 598.7243000 0.00305813
|
||
|
|
6 215.8841000 0.00837608
|
||
|
|
7 84.0124200 0.01741056
|
||
|
|
8 34.2248800 0.01515453
|
||
|
|
9 10.0249700 -0.06207919
|
||
|
|
10 4.0559200 -0.12611803
|
||
|
|
11 1.0202610 0.17360694
|
||
|
|
12 0.4268650 0.37822943
|
||
|
|
13 0.0633470 -0.65964698
|
||
|
|
S 1
|
||
|
|
1 0.0263010 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.1143000 1.0000000
|
||
|
|
P 10
|
||
|
|
1 1072.0430000 0.00198166
|
||
|
|
2 253.8439000 0.01612944
|
||
|
|
3 81.3162600 0.07657851
|
||
|
|
4 30.2418300 0.23269594
|
||
|
|
5 12.1011000 0.42445210
|
||
|
|
6 5.0225540 0.37326402
|
||
|
|
7 1.9092200 0.07868530
|
||
|
|
8 0.7713040 -0.00599927
|
||
|
|
9 0.3005700 0.00264257
|
||
|
|
10 0.0766490 -0.00085694
|
||
|
|
P 10
|
||
|
|
1 1072.0430000 -0.00064891
|
||
|
|
2 253.8439000 -0.00527907
|
||
|
|
3 81.3162600 -0.02581131
|
||
|
|
4 30.2418300 -0.08062892
|
||
|
|
5 12.1011000 -0.15846552
|
||
|
|
6 5.0225540 -0.12816816
|
||
|
|
7 1.9092200 0.25610103
|
||
|
|
8 0.7713040 0.58724068
|
||
|
|
9 0.3005700 0.30372561
|
||
|
|
10 0.0766490 0.01416451
|
||
|
|
P 10
|
||
|
|
1 1072.0430000 0.00013595
|
||
|
|
2 253.8439000 0.00109420
|
||
|
|
3 81.3162600 0.00542680
|
||
|
|
4 30.2418300 0.01674718
|
||
|
|
5 12.1011000 0.03389863
|
||
|
|
6 5.0225540 0.02531183
|
||
|
|
7 1.9092200 -0.05895713
|
||
|
|
8 0.7713040 -0.15876120
|
||
|
|
9 0.3005700 -0.08554523
|
||
|
|
10 0.0766490 0.54464665
|
||
|
|
P 1
|
||
|
|
1 0.0277720 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.5101000 1.0000000
|
||
|
|
D 4
|
||
|
|
1 10.3182000 0.03284900
|
||
|
|
2 2.5924200 0.14819200
|
||
|
|
3 0.7617000 0.31092100
|
||
|
|
4 0.2083800 0.45219500
|
||
|
|
D 1
|
||
|
|
1 0.0537000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.3743000 1.0000000
|
||
|
|
|
||
|
|
|