mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-29 07:35:48 +01:00
1292 lines
46 KiB
Plaintext
1292 lines
46 KiB
Plaintext
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HYDROGEN
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S 3
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1 82.6400000 0.0020060
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2 12.4100000 0.0153430
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3 2.8240000 0.0755790
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S 1
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1 0.7977000 1.0000000
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S 1
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1 0.2581000 1.0000000
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S 1
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1 0.0898900 1.0000000
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P 1
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1 2.2920000 1.0000000
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P 1
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1 0.8380000 1.0000000
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P 1
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1 0.2920000 1.0000000
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D 1
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1 2.0620000 1.0000000
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D 1
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1 0.6620000 1.0000000
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F 1
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1 1.3970000 1.0000000
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HELIUM
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S 4
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1 528.5000000 0.0009400
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2 79.3100000 0.0072140
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3 18.0500000 0.0359750
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4 5.0850000 0.1277820
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S 1
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1 1.6090000 1.0000000
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S 1
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1 0.5363000 1.0000000
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S 1
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1 0.1833000 1.0000000
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P 1
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1 5.9940000 1.0000000
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P 1
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1 1.7450000 1.0000000
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P 1
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1 0.5600000 1.0000000
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D 1
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1 4.2990000 1.0000000
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D 1
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1 1.2230000 1.0000000
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F 1
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1 2.6800000 1.0000000
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LITHIUM
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S 9
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1 6601.0000000 0.0001170
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2 989.7000000 0.0009110
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3 225.7000000 0.0047280
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4 64.2900000 0.0191970
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5 21.1800000 0.0630470
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6 7.7240000 0.1632080
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7 3.0030000 0.3148270
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8 1.2120000 0.3939360
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9 0.4930000 0.1969180
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S 9
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1 6601.0000000 -0.0000180
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2 989.7000000 -0.0001420
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3 225.7000000 -0.0007410
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4 64.2900000 -0.0030200
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5 21.1800000 -0.0101230
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6 7.7240000 -0.0270940
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7 3.0030000 -0.0573590
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8 1.2120000 -0.0938950
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9 0.4930000 -0.1210910
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S 1
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1 0.0951500 1.0000000
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S 1
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1 0.0479100 1.0000000
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S 1
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1 0.0222000 1.0000000
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S 1
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1 0.0063600 1.0000000
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P 3
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1 6.2500000 0.0033880
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2 1.3700000 0.0193160
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3 0.3672000 0.0791040
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P 1
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|
1 0.1192000 1.0000000
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P 1
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1 0.0447400 1.0000000
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P 1
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1 0.0179500 1.0000000
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P 1
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1 0.0075600 1.0000000
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D 1
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1 0.3440000 1.0000000
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D 1
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1 0.1530000 1.0000000
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D 1
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1 0.0680000 1.0000000
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D 1
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1 0.0266000 1.0000000
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F 1
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|
1 0.2460000 1.0000000
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F 1
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|
|
1 0.1292000 1.0000000
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F 1
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|
|
1 0.0552000 1.0000000
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G 1
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1 0.2380000 1.0000000
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BERYLLIUM
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S 9
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|
|
1 14630.0000000 0.0000920
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2 2191.0000000 0.0007130
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|
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3 498.2000000 0.0037350
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||
|
|
4 140.9000000 0.0154680
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||
|
|
5 45.8600000 0.0528740
|
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|
|
6 16.4700000 0.1456940
|
||
|
|
7 6.3190000 0.3026810
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||
|
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8 2.5350000 0.4049360
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||
|
|
9 1.0350000 0.2223870
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S 9
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|
|
1 14630.0000000 -0.0000170
|
||
|
|
2 2191.0000000 -0.0001300
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|
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3 498.2000000 -0.0006790
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||
|
|
4 140.9000000 -0.0028570
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||
|
|
5 45.8600000 -0.0098130
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||
|
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6 16.4700000 -0.0286090
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||
|
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7 6.3190000 -0.0637600
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|
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8 2.5350000 -0.1172310
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||
|
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9 1.0350000 -0.1212020
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S 1
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|
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1 0.2528000 1.0000000
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S 1
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|
|
1 0.1052000 1.0000000
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S 1
|
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|
|
1 0.0426100 1.0000000
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S 1
|
||
|
|
1 0.0143900 1.0000000
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P 3
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|
|
1 14.0300000 0.0040990
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||
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2 3.1680000 0.0256260
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||
|
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3 0.9024000 0.1037680
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||
|
|
P 1
|
||
|
|
1 0.3036000 1.0000000
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||
|
|
P 1
|
||
|
|
1 0.1130000 1.0000000
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||
|
|
P 1
|
||
|
|
1 0.0428600 1.0000000
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||
|
|
P 1
|
||
|
|
1 0.0065000 1.0000000
|
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|
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D 1
|
||
|
|
1 1.0720000 1.0000000
|
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|
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D 1
|
||
|
|
1 0.4410000 1.0000000
|
||
|
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D 1
|
||
|
|
1 0.1811000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0554000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4810000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2550000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.0930000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.4150000 1.0000000
|
||
|
|
|
||
|
|
BORON
|
||
|
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S 9
|
||
|
|
1 23870.0000000 0.0000880
|
||
|
|
2 3575.0000000 0.0006870
|
||
|
|
3 812.8000000 0.0036000
|
||
|
|
4 229.7000000 0.0149490
|
||
|
|
5 74.6900000 0.0514350
|
||
|
|
6 26.8100000 0.1433020
|
||
|
|
7 10.3200000 0.3009350
|
||
|
|
8 4.1780000 0.4035260
|
||
|
|
9 1.7270000 0.2253400
|
||
|
|
S 9
|
||
|
|
1 23870.0000000 -0.0000180
|
||
|
|
2 3575.0000000 -0.0001390
|
||
|
|
3 812.8000000 -0.0007250
|
||
|
|
4 229.7000000 -0.0030630
|
||
|
|
5 74.6900000 -0.0105810
|
||
|
|
6 26.8100000 -0.0313650
|
||
|
|
7 10.3200000 -0.0710120
|
||
|
|
8 4.1780000 -0.1321030
|
||
|
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9 1.7270000 -0.1230720
|
||
|
|
S 1
|
||
|
|
1 0.4704000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1896000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0739400 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0272100 1.0000000
|
||
|
|
P 3
|
||
|
|
1 22.2600000 0.0050950
|
||
|
|
2 5.0580000 0.0332060
|
||
|
|
3 1.4870000 0.1323140
|
||
|
|
P 1
|
||
|
|
1 0.5071000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1812000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0646300 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0187800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.1100000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4020000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1450000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0466000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8820000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3110000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1130000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6730000 1.0000000
|
||
|
|
|
||
|
|
CARBON
|
||
|
|
S 9
|
||
|
|
1 33980.0000000 0.0000910
|
||
|
|
2 5089.0000000 0.0007040
|
||
|
|
3 1157.0000000 0.0036930
|
||
|
|
4 326.6000000 0.0153600
|
||
|
|
5 106.1000000 0.0529290
|
||
|
|
6 38.1100000 0.1470430
|
||
|
|
7 14.7500000 0.3056310
|
||
|
|
8 6.0350000 0.3993450
|
||
|
|
9 2.5300000 0.2170510
|
||
|
|
S 9
|
||
|
|
1 33980.0000000 -0.0000190
|
||
|
|
2 5089.0000000 -0.0001510
|
||
|
|
3 1157.0000000 -0.0007850
|
||
|
|
4 326.6000000 -0.0033240
|
||
|
|
5 106.1000000 -0.0115120
|
||
|
|
6 38.1100000 -0.0341600
|
||
|
|
7 14.7500000 -0.0771730
|
||
|
|
8 6.0350000 -0.1414930
|
||
|
|
9 2.5300000 -0.1180190
|
||
|
|
S 1
|
||
|
|
1 0.7355000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2905000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1111000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0414500 1.0000000
|
||
|
|
P 3
|
||
|
|
1 34.5100000 0.0053780
|
||
|
|
2 7.9150000 0.0361320
|
||
|
|
3 2.3680000 0.1424930
|
||
|
|
P 1
|
||
|
|
1 0.8132000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2890000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1007000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0321800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.8480000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.6490000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2280000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0766000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.4190000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4850000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1870000 1.0000000
|
||
|
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G 1
|
||
|
|
1 1.0110000 1.0000000
|
||
|
|
|
||
|
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NITROGEN
|
||
|
|
S 9
|
||
|
|
1 45840.0000000 0.0000920
|
||
|
|
2 6868.0000000 0.0007170
|
||
|
|
3 1563.0000000 0.0037490
|
||
|
|
4 442.4000000 0.0155320
|
||
|
|
5 144.3000000 0.0531460
|
||
|
|
6 52.1800000 0.1467870
|
||
|
|
7 20.3400000 0.3046630
|
||
|
|
8 8.3810000 0.3976840
|
||
|
|
9 3.5290000 0.2176410
|
||
|
|
S 9
|
||
|
|
1 45840.0000000 -0.0000200
|
||
|
|
2 6868.0000000 -0.0001590
|
||
|
|
3 1563.0000000 -0.0008240
|
||
|
|
4 442.4000000 -0.0034780
|
||
|
|
5 144.3000000 -0.0119660
|
||
|
|
6 52.1800000 -0.0353880
|
||
|
|
7 20.3400000 -0.0800770
|
||
|
|
8 8.3810000 -0.1467220
|
||
|
|
9 3.5290000 -0.1163600
|
||
|
|
S 1
|
||
|
|
1 1.0540000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.4118000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1552000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0546400 1.0000000
|
||
|
|
P 3
|
||
|
|
1 49.3300000 0.0055330
|
||
|
|
2 11.3700000 0.0379620
|
||
|
|
3 3.4350000 0.1490280
|
||
|
|
P 1
|
||
|
|
1 1.1820000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.4173000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1428000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0440200 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.8370000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.9680000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3350000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1110000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.0270000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6850000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2450000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.4270000 1.0000000
|
||
|
|
|
||
|
|
OXYGEN
|
||
|
|
S 9
|
||
|
|
1 61420.0000000 0.0000900
|
||
|
|
2 9199.0000000 0.0006980
|
||
|
|
3 2091.0000000 0.0036640
|
||
|
|
4 590.9000000 0.0152180
|
||
|
|
5 192.3000000 0.0524230
|
||
|
|
6 69.3200000 0.1459210
|
||
|
|
7 26.9700000 0.3052580
|
||
|
|
8 11.1000000 0.3985080
|
||
|
|
9 4.6820000 0.2169800
|
||
|
|
S 9
|
||
|
|
1 61420.0000000 -0.0000200
|
||
|
|
2 9199.0000000 -0.0001590
|
||
|
|
3 2091.0000000 -0.0008290
|
||
|
|
4 590.9000000 -0.0035080
|
||
|
|
5 192.3000000 -0.0121560
|
||
|
|
6 69.3200000 -0.0362610
|
||
|
|
7 26.9700000 -0.0829920
|
||
|
|
8 11.1000000 -0.1520900
|
||
|
|
9 4.6820000 -0.1153310
|
||
|
|
S 1
|
||
|
|
1 1.4280000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.5547000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2067000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0695900 1.0000000
|
||
|
|
P 3
|
||
|
|
1 63.4200000 0.0060440
|
||
|
|
2 14.6600000 0.0417990
|
||
|
|
3 4.4590000 0.1611430
|
||
|
|
P 1
|
||
|
|
1 1.5310000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.5302000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1750000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0534800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.7750000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.3000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4440000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1540000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.6660000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8590000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3240000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.8460000 1.0000000
|
||
|
|
|
||
|
|
FLUORINE
|
||
|
|
S 9
|
||
|
|
1 74530.0000000 0.0000950
|
||
|
|
2 11170.0000000 0.0007380
|
||
|
|
3 2543.0000000 0.0038580
|
||
|
|
4 721.0000000 0.0159260
|
||
|
|
5 235.9000000 0.0542890
|
||
|
|
6 85.6000000 0.1495130
|
||
|
|
7 33.5500000 0.3082520
|
||
|
|
8 13.9300000 0.3948530
|
||
|
|
9 5.9150000 0.2110310
|
||
|
|
S 9
|
||
|
|
1 74530.0000000 -0.0000220
|
||
|
|
2 11170.0000000 -0.0001720
|
||
|
|
3 2543.0000000 -0.0008910
|
||
|
|
4 721.0000000 -0.0037480
|
||
|
|
5 235.9000000 -0.0128620
|
||
|
|
6 85.6000000 -0.0380610
|
||
|
|
7 33.5500000 -0.0862390
|
||
|
|
8 13.9300000 -0.1558650
|
||
|
|
9 5.9150000 -0.1109140
|
||
|
|
S 1
|
||
|
|
1 1.8430000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.7124000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2637000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0859400 1.0000000
|
||
|
|
P 3
|
||
|
|
1 80.3900000 0.0063470
|
||
|
|
2 18.6300000 0.0442040
|
||
|
|
3 5.6940000 0.1685140
|
||
|
|
P 1
|
||
|
|
1 1.9530000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.6702000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2166000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0656800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.0140000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.7250000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5860000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2070000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.5620000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.1480000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4600000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.3760000 1.0000000
|
||
|
|
|
||
|
|
NEON
|
||
|
|
S 9
|
||
|
|
1 99920.0000000 0.0000860
|
||
|
|
2 14960.0000000 0.0006690
|
||
|
|
3 3399.0000000 0.0035180
|
||
|
|
4 958.9000000 0.0146670
|
||
|
|
5 311.2000000 0.0509620
|
||
|
|
6 111.7000000 0.1437440
|
||
|
|
7 43.3200000 0.3045620
|
||
|
|
8 17.8000000 0.4001050
|
||
|
|
9 7.5030000 0.2186440
|
||
|
|
S 9
|
||
|
|
1 99920.0000000 -0.0000200
|
||
|
|
2 14960.0000000 -0.0001580
|
||
|
|
3 3399.0000000 -0.0008240
|
||
|
|
4 958.9000000 -0.0035000
|
||
|
|
5 311.2000000 -0.0122330
|
||
|
|
6 111.7000000 -0.0370170
|
||
|
|
7 43.3200000 -0.0861130
|
||
|
|
8 17.8000000 -0.1583810
|
||
|
|
9 7.5030000 -0.1142880
|
||
|
|
S 1
|
||
|
|
1 2.3370000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.9001000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.3301000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1054000 1.0000000
|
||
|
|
P 3
|
||
|
|
1 99.6800000 0.0065660
|
||
|
|
2 23.1500000 0.0459790
|
||
|
|
3 7.1080000 0.1734190
|
||
|
|
P 1
|
||
|
|
1 2.4410000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.8339000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2662000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0817800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 6.4710000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.2130000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7470000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2730000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 4.6570000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.5240000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6890000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.9830000 1.0000000
|
||
|
|
|
||
|
|
SODIUM
|
||
|
|
S 16
|
||
|
|
1 1224000.0000000 0.478894E-05
|
||
|
|
2 183200.0000000 0.372395E-04
|
||
|
|
3 41700.0000000 0.195831E-03
|
||
|
|
4 11810.0000000 0.826698E-03
|
||
|
|
5 3853.0000000 0.300251E-02
|
||
|
|
6 1391.0000000 0.970310E-02
|
||
|
|
7 542.5000000 0.282337E-01
|
||
|
|
8 224.9000000 0.732058E-01
|
||
|
|
9 97.9300000 0.162897E+00
|
||
|
|
10 44.3100000 0.288708E+00
|
||
|
|
11 20.6500000 0.346829E+00
|
||
|
|
12 9.7290000 0.206865E+00
|
||
|
|
13 4.2280000 0.328009E-01
|
||
|
|
14 1.9690000 -0.647736E-03
|
||
|
|
15 0.8890000 0.145878E-02
|
||
|
|
16 0.3964000 -0.178346E-03
|
||
|
|
S 16
|
||
|
|
1 1224000.0000000 -0.116958E-05
|
||
|
|
2 183200.0000000 -0.909110E-05
|
||
|
|
3 41700.0000000 -0.478499E-04
|
||
|
|
4 11810.0000000 -0.201962E-03
|
||
|
|
5 3853.0000000 -0.735837E-03
|
||
|
|
6 1391.0000000 -0.238746E-02
|
||
|
|
7 542.5000000 -0.704969E-02
|
||
|
|
8 224.9000000 -0.187856E-01
|
||
|
|
9 97.9300000 -0.446153E-01
|
||
|
|
10 44.3100000 -0.897741E-01
|
||
|
|
11 20.6500000 -0.142940E+00
|
||
|
|
12 9.7290000 -0.124315E+00
|
||
|
|
13 4.2280000 0.999648E-01
|
||
|
|
14 1.9690000 0.417080E+00
|
||
|
|
15 0.8890000 0.475123E+00
|
||
|
|
16 0.3964000 0.163268E+00
|
||
|
|
S 16
|
||
|
|
1 1224000.0000000 0.175871E-06
|
||
|
|
2 183200.0000000 0.136594E-05
|
||
|
|
3 41700.0000000 0.719795E-05
|
||
|
|
4 11810.0000000 0.303349E-04
|
||
|
|
5 3853.0000000 0.110752E-03
|
||
|
|
6 1391.0000000 0.358596E-03
|
||
|
|
7 542.5000000 0.106272E-02
|
||
|
|
8 224.9000000 0.282687E-02
|
||
|
|
9 97.9300000 0.676742E-02
|
||
|
|
10 44.3100000 0.136480E-01
|
||
|
|
11 20.6500000 0.222814E-01
|
||
|
|
12 9.7290000 0.196011E-01
|
||
|
|
13 4.2280000 -0.167708E-01
|
||
|
|
14 1.9690000 -0.773734E-01
|
||
|
|
15 0.8890000 -0.113501E+00
|
||
|
|
16 0.3964000 -0.139130E+00
|
||
|
|
S 1
|
||
|
|
1 0.0699300 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0328900 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0161200 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0050300 1.0000000
|
||
|
|
P 9
|
||
|
|
1 413.4000000 0.908196E-03
|
||
|
|
2 97.9800000 0.741773E-02
|
||
|
|
3 31.3700000 0.357464E-01
|
||
|
|
4 11.6200000 0.118520E+00
|
||
|
|
5 4.6710000 0.261403E+00
|
||
|
|
6 1.9180000 0.378395E+00
|
||
|
|
7 0.7775000 0.334632E+00
|
||
|
|
8 0.3013000 0.126844E+00
|
||
|
|
9 0.2275000 -0.147117E-01
|
||
|
|
P 9
|
||
|
|
1 413.4000000 -0.901741E-04
|
||
|
|
2 97.9800000 -0.739342E-03
|
||
|
|
3 31.3700000 -0.357309E-02
|
||
|
|
4 11.6200000 -0.120142E-01
|
||
|
|
5 4.6710000 -0.267178E-01
|
||
|
|
6 1.9180000 -0.392753E-01
|
||
|
|
7 0.7775000 -0.376083E-01
|
||
|
|
8 0.3013000 -0.433228E-01
|
||
|
|
9 0.2275000 0.518003E-01
|
||
|
|
P 1
|
||
|
|
1 0.0752700 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0312600 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0134200 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0077200 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1538000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0865000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0487000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0210000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1912000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1036000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.0453000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.1722000 1.0000000
|
||
|
|
|
||
|
|
MAGNESIUM
|
||
|
|
S 13
|
||
|
|
1 327600.0000000 0.309608E-04
|
||
|
|
2 49050.0000000 0.240954E-03
|
||
|
|
3 11150.0000000 0.126660E-02
|
||
|
|
4 3152.0000000 0.533359E-02
|
||
|
|
5 1025.0000000 0.190770E-01
|
||
|
|
6 368.8000000 0.588058E-01
|
||
|
|
7 143.2000000 0.151454E+00
|
||
|
|
8 58.9600000 0.300716E+00
|
||
|
|
9 25.4000000 0.381149E+00
|
||
|
|
10 11.1500000 0.213584E+00
|
||
|
|
11 4.0040000 0.231210E-01
|
||
|
|
12 1.7010000 -0.230757E-02
|
||
|
|
13 0.7060000 0.128900E-02
|
||
|
|
S 13
|
||
|
|
1 327600.0000000 -0.783173E-05
|
||
|
|
2 49050.0000000 -0.607935E-04
|
||
|
|
3 11150.0000000 -0.321197E-03
|
||
|
|
4 3152.0000000 -0.134955E-02
|
||
|
|
5 1025.0000000 -0.490570E-02
|
||
|
|
6 368.8000000 -0.153561E-01
|
||
|
|
7 143.2000000 -0.423409E-01
|
||
|
|
8 58.9600000 -0.940603E-01
|
||
|
|
9 25.4000000 -0.163425E+00
|
||
|
|
10 11.1500000 -0.124754E+00
|
||
|
|
11 4.0040000 0.235623E+00
|
||
|
|
12 1.7010000 0.577563E+00
|
||
|
|
13 0.7060000 0.335232E+00
|
||
|
|
S 13
|
||
|
|
1 327600.0000000 0.150908E-05
|
||
|
|
2 49050.0000000 0.117134E-04
|
||
|
|
3 11150.0000000 0.618980E-04
|
||
|
|
4 3152.0000000 0.260088E-03
|
||
|
|
5 1025.0000000 0.946218E-03
|
||
|
|
6 368.8000000 0.296595E-02
|
||
|
|
7 143.2000000 0.821245E-02
|
||
|
|
8 58.9600000 0.183977E-01
|
||
|
|
9 25.4000000 0.326657E-01
|
||
|
|
10 11.1500000 0.257315E-01
|
||
|
|
11 4.0040000 -0.535351E-01
|
||
|
|
12 1.7010000 -0.156895E+00
|
||
|
|
13 0.7060000 -0.206659E+00
|
||
|
|
S 1
|
||
|
|
1 0.1410000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0680800 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0306300 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0123900 1.0000000
|
||
|
|
P 9
|
||
|
|
1 539.6000000 0.833969E-03
|
||
|
|
2 127.9000000 0.689215E-02
|
||
|
|
3 41.0200000 0.337874E-01
|
||
|
|
4 15.2500000 0.114401E+00
|
||
|
|
5 6.1660000 0.259514E+00
|
||
|
|
6 2.5610000 0.385095E+00
|
||
|
|
7 1.0600000 0.335373E+00
|
||
|
|
8 0.4176000 0.110641E+00
|
||
|
|
9 0.2690000 -0.121315E-01
|
||
|
|
P 9
|
||
|
|
1 539.6000000 -0.132076E-03
|
||
|
|
2 127.9000000 -0.109538E-02
|
||
|
|
3 41.0200000 -0.539495E-02
|
||
|
|
4 15.2500000 -0.185572E-01
|
||
|
|
5 6.1660000 -0.427375E-01
|
||
|
|
6 2.5610000 -0.647684E-01
|
||
|
|
7 1.0600000 -0.627818E-01
|
||
|
|
8 0.4176000 -0.244912E-01
|
||
|
|
9 0.2690000 0.104761E+00
|
||
|
|
P 1
|
||
|
|
1 0.1223000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0547600 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0238800 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0070600 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1060000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1944000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3570000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0382000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1810000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3590000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.0700000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.3070000 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 13
|
||
|
|
1 419600.0000000 0.278219E-04
|
||
|
|
2 62830.0000000 0.216330E-03
|
||
|
|
3 14290.0000000 0.113754E-02
|
||
|
|
4 4038.0000000 0.479635E-02
|
||
|
|
5 1312.0000000 0.172389E-01
|
||
|
|
6 470.5000000 0.538066E-01
|
||
|
|
7 181.8000000 0.141326E+00
|
||
|
|
8 74.4600000 0.289268E+00
|
||
|
|
9 31.9000000 0.384825E+00
|
||
|
|
10 13.9600000 0.232852E+00
|
||
|
|
11 5.1800000 0.293330E-01
|
||
|
|
12 2.2650000 -0.300574E-02
|
||
|
|
13 0.9664000 0.166673E-02
|
||
|
|
S 13
|
||
|
|
1 419600.0000000 -0.723754E-05
|
||
|
|
2 62830.0000000 -0.561733E-04
|
||
|
|
3 14290.0000000 -0.296528E-03
|
||
|
|
4 4038.0000000 -0.124913E-02
|
||
|
|
5 1312.0000000 -0.455101E-02
|
||
|
|
6 470.5000000 -0.144393E-01
|
||
|
|
7 181.8000000 -0.403464E-01
|
||
|
|
8 74.4600000 -0.922618E-01
|
||
|
|
9 31.9000000 -0.164510E+00
|
||
|
|
10 13.9600000 -0.141296E+00
|
||
|
|
11 5.1800000 0.195365E+00
|
||
|
|
12 2.2650000 0.572475E+00
|
||
|
|
13 0.9664000 0.374041E+00
|
||
|
|
S 13
|
||
|
|
1 419600.0000000 0.167150E-05
|
||
|
|
2 62830.0000000 0.129641E-04
|
||
|
|
3 14290.0000000 0.685101E-04
|
||
|
|
4 4038.0000000 0.288274E-03
|
||
|
|
5 1312.0000000 0.105276E-02
|
||
|
|
6 470.5000000 0.333878E-02
|
||
|
|
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G 1
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SULFUR
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P 8
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CHLORINE
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