mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-16 19:13:50 +01:00
1328 lines
47 KiB
Plaintext
1328 lines
47 KiB
Plaintext
HYDROGEN
|
|
S 5
|
|
1 1776.7755600 0.0000440
|
|
2 254.0177120 0.0003720
|
|
3 54.6980390 0.0020940
|
|
4 15.0183440 0.0088630
|
|
5 4.91507800 0.0305400
|
|
S 1
|
|
1 1.79492400 1.0000000
|
|
S 1
|
|
1 0.71071600 1.0000000
|
|
S 1
|
|
1 0.30480200 1.0000000
|
|
S 1
|
|
1 0.13804600 1.0000000
|
|
S 1
|
|
1 0.06215700 1.0000000
|
|
P 1
|
|
1 8.6490000 1.0000000
|
|
P 1
|
|
1 3.4300000 1.0000000
|
|
P 1
|
|
1 1.3600000 1.0000000
|
|
P 1
|
|
1 0.5390000 1.0000000
|
|
P 1
|
|
1 0.2140000 1.0000000
|
|
D 1
|
|
1 4.4530000 1.0000000
|
|
D 1
|
|
1 1.9580000 1.0000000
|
|
D 1
|
|
1 0.8610000 1.0000000
|
|
D 1
|
|
1 0.3780000 1.0000000
|
|
F 1
|
|
1 4.1000000 1.0000000
|
|
F 1
|
|
1 1.7800000 1.0000000
|
|
F 1
|
|
1 0.7730000 1.0000000
|
|
G 1
|
|
1 3.1990000 1.0000000
|
|
G 1
|
|
1 1.3260000 1.0000000
|
|
H 1
|
|
1 2.6530000 1.0000000
|
|
|
|
HELIUM
|
|
S 5
|
|
1 4785.0000000 0.0000006
|
|
2 717.0000000 0.0000047
|
|
3 163.2000000 0.0000244
|
|
4 46.2600000 0.0001012
|
|
5 15.1000000 0.0003486
|
|
S 1
|
|
1 5.4370000 1.0000000
|
|
S 1
|
|
1 2.0880000 1.0000000
|
|
S 1
|
|
1 0.8297000 1.0000000
|
|
S 1
|
|
1 0.3366000 1.0000000
|
|
S 1
|
|
1 0.1369000 1.0000000
|
|
P 1
|
|
1 0.3870000 1.0000000
|
|
P 1
|
|
1 0.9840000 1.0000000
|
|
P 1
|
|
1 2.4980000 1.0000000
|
|
P 1
|
|
1 6.3420000 1.0000000
|
|
P 1
|
|
1 16.1040000 1.0000000
|
|
D 1
|
|
1 0.7470000 1.0000000
|
|
D 1
|
|
1 1.9100000 1.0000000
|
|
D 1
|
|
1 4.8860000 1.0000000
|
|
D 1
|
|
1 12.4980000 1.0000000
|
|
F 1
|
|
1 1.2920000 1.0000000
|
|
F 1
|
|
1 3.4620000 1.0000000
|
|
F 1
|
|
1 9.2760000 1.0000000
|
|
G 1
|
|
1 2.2360000 1.0000000
|
|
G 1
|
|
1 6.5860000 1.0000000
|
|
H 1
|
|
1 4.1590000 1.0000000
|
|
|
|
BORON
|
|
S 11
|
|
1 210400.0000000 0.00000583
|
|
2 31500.0000000 0.00004532
|
|
3 7169.0000000 0.00023838
|
|
4 2030.0000000 0.00100570
|
|
5 662.5000000 0.00364496
|
|
6 239.2000000 0.01173628
|
|
7 93.2600000 0.03380702
|
|
8 38.6400000 0.08556593
|
|
9 16.7800000 0.18260322
|
|
10 7.5410000 0.30583760
|
|
11 3.4820000 0.34080347
|
|
S 11
|
|
1 210400.0000000 -0.00000118
|
|
2 31500.0000000 -0.00000915
|
|
3 7169.0000000 -0.00004819
|
|
4 2030.0000000 -0.00020306
|
|
5 662.5000000 -0.00073917
|
|
6 239.2000000 -0.00238603
|
|
7 93.2600000 -0.00698654
|
|
8 38.6400000 -0.01811594
|
|
9 16.7800000 -0.04123129
|
|
10 7.5410000 -0.07781353
|
|
11 3.4820000 -0.12123181
|
|
S 1
|
|
1 1.6180000 1.0000000
|
|
S 1
|
|
1 0.6270000 1.0000000
|
|
S 1
|
|
1 0.2934000 1.0000000
|
|
S 1
|
|
1 0.1310000 1.0000000
|
|
S 1
|
|
1 0.0581500 1.0000000
|
|
P 5
|
|
1 192.5000000 0.00013490
|
|
2 45.6400000 0.00114741
|
|
3 14.7500000 0.00584793
|
|
4 5.5030000 0.02117091
|
|
5 2.2220000 0.06266872
|
|
P 1
|
|
1 0.9590000 1.0000000
|
|
P 1
|
|
1 0.4314000 1.0000000
|
|
P 1
|
|
1 0.1969000 1.0000000
|
|
P 1
|
|
1 0.0903300 1.0000000
|
|
P 1
|
|
1 0.0406600 1.0000000
|
|
D 1
|
|
1 2.8860000 1.0000000
|
|
D 1
|
|
1 1.2670000 1.0000000
|
|
D 1
|
|
1 0.5560000 1.0000000
|
|
D 1
|
|
1 0.2440000 1.0000000
|
|
D 1
|
|
1 0.1070000 1.0000000
|
|
F 1
|
|
1 1.6510000 1.0000000
|
|
F 1
|
|
1 0.8002000 1.0000000
|
|
F 1
|
|
1 0.3878000 1.0000000
|
|
F 1
|
|
1 0.1880000 1.0000000
|
|
G 1
|
|
1 1.6469000 1.0000000
|
|
G 1
|
|
1 0.7889000 1.0000000
|
|
G 1
|
|
1 0.3779000 1.0000000
|
|
H 1
|
|
1 1.3120000 1.0000000
|
|
H 1
|
|
1 0.5806000 1.0000000
|
|
I 1
|
|
1 0.9847000 1.0000000
|
|
|
|
CARBON
|
|
S 11
|
|
1 312100.0000000 0.00000567
|
|
2 46740.0000000 0.00004410
|
|
3 10640.0000000 0.00023190
|
|
4 3013.0000000 0.00097897
|
|
5 982.8000000 0.00355163
|
|
6 354.8000000 0.01144061
|
|
7 138.4000000 0.03299855
|
|
8 57.3500000 0.08405347
|
|
9 24.9200000 0.18067613
|
|
10 11.2300000 0.30491140
|
|
11 5.2010000 0.34141570
|
|
S 11
|
|
1 312100.0000000 -0.00000121
|
|
2 46740.0000000 -0.00000939
|
|
3 10640.0000000 -0.00004947
|
|
4 3013.0000000 -0.00020857
|
|
5 982.8000000 -0.00076015
|
|
6 354.8000000 -0.00245469
|
|
7 138.4000000 -0.00720153
|
|
8 57.3500000 -0.01880742
|
|
9 24.9200000 -0.04325001
|
|
10 11.2300000 -0.08259733
|
|
11 5.2010000 -0.12857592
|
|
S 1
|
|
1 2.4260000 1.0000000
|
|
S 1
|
|
1 0.9673000 1.0000000
|
|
S 1
|
|
1 0.4456000 1.0000000
|
|
S 1
|
|
1 0.1971000 1.0000000
|
|
S 1
|
|
1 0.0863500 1.0000000
|
|
P 5
|
|
1 295.2000000 0.00014249
|
|
2 69.9800000 0.00122010
|
|
3 22.6400000 0.00633696
|
|
4 8.4850000 0.02351875
|
|
5 3.4590000 0.06990447
|
|
P 1
|
|
1 1.5040000 1.0000000
|
|
P 1
|
|
1 0.6783000 1.0000000
|
|
P 1
|
|
1 0.3087000 1.0000000
|
|
P 1
|
|
1 0.1400000 1.0000000
|
|
P 1
|
|
1 0.0617800 1.0000000
|
|
D 1
|
|
1 4.5420000 1.0000000
|
|
D 1
|
|
1 1.9790000 1.0000000
|
|
D 1
|
|
1 0.8621000 1.0000000
|
|
D 1
|
|
1 0.3756000 1.0000000
|
|
D 1
|
|
1 0.1636000 1.0000000
|
|
F 1
|
|
1 2.6310000 1.0000000
|
|
F 1
|
|
1 1.2550000 1.0000000
|
|
F 1
|
|
1 0.5988000 1.0000000
|
|
F 1
|
|
1 0.2857000 1.0000000
|
|
G 1
|
|
1 2.6520000 1.0000000
|
|
G 1
|
|
1 1.2040000 1.0000000
|
|
G 1
|
|
1 0.5470000 1.0000000
|
|
H 1
|
|
1 2.0300000 1.0000000
|
|
H 1
|
|
1 0.8511000 1.0000000
|
|
I 1
|
|
1 1.4910000 1.0000000
|
|
|
|
NITROGEN
|
|
S 11
|
|
1 432300.0000000 0.00000559
|
|
2 64700.0000000 0.00004351
|
|
3 14720.0000000 0.00022893
|
|
4 4170.0000000 0.00096502
|
|
5 1361.0000000 0.00350219
|
|
6 491.2000000 0.01129212
|
|
7 191.6000000 0.03261283
|
|
8 79.4100000 0.08329727
|
|
9 34.5300000 0.17998566
|
|
10 15.5800000 0.30500351
|
|
11 7.2320000 0.34115932
|
|
S 11
|
|
1 432300.0000000 -0.00000123
|
|
2 64700.0000000 -0.00000958
|
|
3 14720.0000000 -0.00005051
|
|
4 4170.0000000 -0.00021264
|
|
5 1361.0000000 -0.00077534
|
|
6 491.2000000 -0.00250624
|
|
7 191.6000000 -0.00736529
|
|
8 79.4100000 -0.01930167
|
|
9 34.5300000 -0.04471738
|
|
10 15.5800000 -0.08606647
|
|
11 7.2320000 -0.13329627
|
|
S 1
|
|
1 3.3820000 1.0000000
|
|
S 1
|
|
1 1.3690000 1.0000000
|
|
S 1
|
|
1 0.6248000 1.0000000
|
|
S 1
|
|
1 0.2747000 1.0000000
|
|
S 1
|
|
1 0.1192000 1.0000000
|
|
P 5
|
|
1 415.9000000 0.00014841
|
|
2 98.6100000 0.00127634
|
|
3 31.9200000 0.00670242
|
|
4 12.0000000 0.02526170
|
|
5 4.9190000 0.07518943
|
|
P 1
|
|
1 2.1480000 1.0000000
|
|
P 1
|
|
1 0.9696000 1.0000000
|
|
P 1
|
|
1 0.4399000 1.0000000
|
|
P 1
|
|
1 0.1978000 1.0000000
|
|
P 1
|
|
1 0.0860300 1.0000000
|
|
D 1
|
|
1 6.7170000 1.0000000
|
|
D 1
|
|
1 2.8960000 1.0000000
|
|
D 1
|
|
1 1.2490000 1.0000000
|
|
D 1
|
|
1 0.5380000 1.0000000
|
|
D 1
|
|
1 0.2320000 1.0000000
|
|
F 1
|
|
1 3.8290000 1.0000000
|
|
F 1
|
|
1 1.7950000 1.0000000
|
|
F 1
|
|
1 0.8410000 1.0000000
|
|
F 1
|
|
1 0.3940000 1.0000000
|
|
G 1
|
|
1 3.8560000 1.0000000
|
|
G 1
|
|
1 1.7020000 1.0000000
|
|
G 1
|
|
1 0.7510000 1.0000000
|
|
H 1
|
|
1 2.8750000 1.0000000
|
|
H 1
|
|
1 1.1700000 1.0000000
|
|
I 1
|
|
1 2.0990000 1.0000000
|
|
|
|
OXYGEN
|
|
S 11
|
|
1 570800.0000000 0.00000555
|
|
2 85480.0000000 0.00004311
|
|
3 19460.0000000 0.00022667
|
|
4 5512.0000000 0.00095637
|
|
5 1798.0000000 0.00347320
|
|
6 648.9000000 0.01119778
|
|
7 253.1000000 0.03238766
|
|
8 104.9000000 0.08285977
|
|
9 45.6500000 0.17958381
|
|
10 20.6200000 0.30522110
|
|
11 9.5870000 0.34089349
|
|
S 11
|
|
1 570800.0000000 -0.00000126
|
|
2 85480.0000000 -0.00000977
|
|
3 19460.0000000 -0.00005148
|
|
4 5512.0000000 -0.00021696
|
|
5 1798.0000000 -0.00079162
|
|
6 648.9000000 -0.00255900
|
|
7 253.1000000 -0.00753313
|
|
8 104.9000000 -0.01978897
|
|
9 45.6500000 -0.04606288
|
|
10 20.6200000 -0.08919560
|
|
11 9.5870000 -0.13754216
|
|
S 1
|
|
1 4.4930000 1.0000000
|
|
S 1
|
|
1 1.8370000 1.0000000
|
|
S 1
|
|
1 0.8349000 1.0000000
|
|
S 1
|
|
1 0.3658000 1.0000000
|
|
S 1
|
|
1 0.1570000 1.0000000
|
|
P 5
|
|
1 525.6000000 0.00016664
|
|
2 124.6000000 0.00143336
|
|
3 40.3400000 0.00754762
|
|
4 15.1800000 0.02859456
|
|
5 6.2450000 0.08438858
|
|
P 1
|
|
1 2.7320000 1.0000000
|
|
P 1
|
|
1 1.2270000 1.0000000
|
|
P 1
|
|
1 0.5492000 1.0000000
|
|
P 1
|
|
1 0.2418000 1.0000000
|
|
P 1
|
|
1 0.1025000 1.0000000
|
|
D 1
|
|
1 8.2530000 1.0000000
|
|
D 1
|
|
1 3.5970000 1.0000000
|
|
D 1
|
|
1 1.5680000 1.0000000
|
|
D 1
|
|
1 0.6840000 1.0000000
|
|
D 1
|
|
1 0.2980000 1.0000000
|
|
F 1
|
|
1 5.4300000 1.0000000
|
|
F 1
|
|
1 2.4160000 1.0000000
|
|
F 1
|
|
1 1.0750000 1.0000000
|
|
F 1
|
|
1 0.4780000 1.0000000
|
|
G 1
|
|
1 5.2110000 1.0000000
|
|
G 1
|
|
1 2.1900000 1.0000000
|
|
G 1
|
|
1 0.9200000 1.0000000
|
|
H 1
|
|
1 3.8720000 1.0000000
|
|
H 1
|
|
1 1.5050000 1.0000000
|
|
I 1
|
|
1 2.7730000 1.0000000
|
|
|
|
FLUORINE
|
|
S 11
|
|
1 723500.0000000 0.00000556
|
|
2 108400.0000000 0.00004318
|
|
3 24680.0000000 0.00022700
|
|
4 6990.0000000 0.00095803
|
|
5 2282.0000000 0.00347015
|
|
6 824.6000000 0.01118526
|
|
7 321.8000000 0.03232880
|
|
8 133.5000000 0.08279545
|
|
9 58.1100000 0.17988024
|
|
10 26.2800000 0.30557831
|
|
11 12.2400000 0.34026839
|
|
S 11
|
|
1 723500.0000000 -0.00000129
|
|
2 108400.0000000 -0.00000999
|
|
3 24680.0000000 -0.00005260
|
|
4 6990.0000000 -0.00022172
|
|
5 2282.0000000 -0.00080692
|
|
6 824.6000000 -0.00260817
|
|
7 321.8000000 -0.00767402
|
|
8 133.5000000 -0.02019353
|
|
9 58.1100000 -0.04718752
|
|
10 26.2800000 -0.09158009
|
|
11 12.2400000 -0.14048558
|
|
S 1
|
|
1 5.7470000 1.0000000
|
|
S 1
|
|
1 2.3650000 1.0000000
|
|
S 1
|
|
1 1.0710000 1.0000000
|
|
S 1
|
|
1 0.4681000 1.0000000
|
|
S 1
|
|
1 0.1994000 1.0000000
|
|
P 5
|
|
1 660.0000000 0.00017721
|
|
2 156.4000000 0.00152691
|
|
3 50.6400000 0.00807207
|
|
4 19.0800000 0.03074021
|
|
5 7.8720000 0.09011914
|
|
P 1
|
|
1 3.4490000 1.0000000
|
|
P 1
|
|
1 1.5450000 1.0000000
|
|
P 1
|
|
1 0.6864000 1.0000000
|
|
P 1
|
|
1 0.2986000 1.0000000
|
|
P 1
|
|
1 0.1245000 1.0000000
|
|
D 1
|
|
1 10.5730000 1.0000000
|
|
D 1
|
|
1 4.6130000 1.0000000
|
|
D 1
|
|
1 2.0130000 1.0000000
|
|
D 1
|
|
1 0.8780000 1.0000000
|
|
D 1
|
|
1 0.3830000 1.0000000
|
|
F 1
|
|
1 7.5630000 1.0000000
|
|
F 1
|
|
1 3.3300000 1.0000000
|
|
F 1
|
|
1 1.4660000 1.0000000
|
|
F 1
|
|
1 0.6450000 1.0000000
|
|
G 1
|
|
1 6.7350000 1.0000000
|
|
G 1
|
|
1 2.7830000 1.0000000
|
|
G 1
|
|
1 1.1500000 1.0000000
|
|
H 1
|
|
1 5.0880000 1.0000000
|
|
H 1
|
|
1 1.9370000 1.0000000
|
|
I 1
|
|
1 3.5810000 1.0000000
|
|
|
|
NEON
|
|
S 11
|
|
1 902400.0000000 0.00000551
|
|
2 135100.0000000 0.00004282
|
|
3 30750.0000000 0.00022514
|
|
4 8710.0000000 0.00095016
|
|
5 2842.0000000 0.00344719
|
|
6 1026.0000000 0.01112545
|
|
7 400.1000000 0.03220568
|
|
8 165.9000000 0.08259891
|
|
9 72.2100000 0.17990564
|
|
10 32.6600000 0.30605208
|
|
11 15.2200000 0.34012559
|
|
S 11
|
|
1 902400.0000000 -0.00000129
|
|
2 135100.0000000 -0.00001005
|
|
3 30750.0000000 -0.00005293
|
|
4 8710.0000000 -0.00022312
|
|
5 2842.0000000 -0.00081338
|
|
6 1026.0000000 -0.00263230
|
|
7 400.1000000 -0.00775910
|
|
8 165.9000000 -0.02045277
|
|
9 72.2100000 -0.04797505
|
|
10 32.6600000 -0.09340086
|
|
11 15.2200000 -0.14277215
|
|
S 1
|
|
1 7.1490000 1.0000000
|
|
S 1
|
|
1 2.9570000 1.0000000
|
|
S 1
|
|
1 1.3350000 1.0000000
|
|
S 1
|
|
1 0.5816000 1.0000000
|
|
S 1
|
|
1 0.2463000 1.0000000
|
|
P 5
|
|
1 815.6000000 0.00018376
|
|
2 193.3000000 0.00158509
|
|
3 62.6000000 0.00841464
|
|
4 23.6100000 0.03220033
|
|
5 9.7620000 0.09396390
|
|
P 1
|
|
1 4.2810000 1.0000000
|
|
P 1
|
|
1 1.9150000 1.0000000
|
|
P 1
|
|
1 0.8476000 1.0000000
|
|
P 1
|
|
1 0.3660000 1.0000000
|
|
P 1
|
|
1 0.1510000 1.0000000
|
|
D 1
|
|
1 13.3170000 1.0000000
|
|
D 1
|
|
1 5.8030000 1.0000000
|
|
D 1
|
|
1 2.5290000 1.0000000
|
|
D 1
|
|
1 1.1020000 1.0000000
|
|
D 1
|
|
1 0.4800000 1.0000000
|
|
F 1
|
|
1 10.3560000 1.0000000
|
|
F 1
|
|
1 4.5380000 1.0000000
|
|
F 1
|
|
1 1.9890000 1.0000000
|
|
F 1
|
|
1 0.8710000 1.0000000
|
|
G 1
|
|
1 8.3450000 1.0000000
|
|
G 1
|
|
1 3.4170000 1.0000000
|
|
G 1
|
|
1 1.3990000 1.0000000
|
|
H 1
|
|
1 6.5190000 1.0000000
|
|
H 1
|
|
1 2.4470000 1.0000000
|
|
I 1
|
|
1 4.4890000 1.0000000
|
|
|
|
ALUMINUM
|
|
S 16
|
|
1 3652000.0000000 0.0000019
|
|
2 546800.0000000 0.0000145
|
|
3 124500.0000000 0.0000762
|
|
4 35440.0000000 0.0003158
|
|
5 11840.0000000 0.0010974
|
|
6 4434.0000000 0.0033697
|
|
7 1812.0000000 0.0093222
|
|
8 791.5000000 0.0237992
|
|
9 361.0000000 0.0568191
|
|
10 169.5000000 0.1224680
|
|
11 81.6800000 0.2238970
|
|
12 40.2800000 0.3134460
|
|
13 20.2500000 0.2749750
|
|
14 10.2300000 0.1105640
|
|
15 4.8020000 0.0119215
|
|
16 2.3390000 0.0006528
|
|
S 16
|
|
1 3652000.0000000 -0.0000005
|
|
2 546800.0000000 -0.0000038
|
|
3 124500.0000000 -0.0000198
|
|
4 35440.0000000 -0.0000821
|
|
5 11840.0000000 -0.0002858
|
|
6 4434.0000000 -0.0008785
|
|
7 1812.0000000 -0.0024482
|
|
8 791.5000000 -0.0063100
|
|
9 361.0000000 -0.0154854
|
|
10 169.5000000 -0.0349589
|
|
11 81.6800000 -0.0707729
|
|
12 40.2800000 -0.1194230
|
|
13 20.2500000 -0.1488420
|
|
14 10.2300000 -0.0590465
|
|
15 4.8020000 0.2166930
|
|
16 2.3390000 0.4765570
|
|
S 16
|
|
1 3652000.0000000 0.0000001
|
|
2 546800.0000000 0.0000009
|
|
3 124500.0000000 0.0000046
|
|
4 35440.0000000 0.0000190
|
|
5 11840.0000000 0.0000659
|
|
6 4434.0000000 0.0002031
|
|
7 1812.0000000 0.0005647
|
|
8 791.5000000 0.0014620
|
|
9 361.0000000 0.0035794
|
|
10 169.5000000 0.0081516
|
|
11 81.6800000 0.0165276
|
|
12 40.2800000 0.0285467
|
|
13 20.2500000 0.0361484
|
|
14 10.2300000 0.0153804
|
|
15 4.8020000 -0.0612141
|
|
16 2.3390000 -0.1512630
|
|
S 1
|
|
1 1.1630000 1.0000000
|
|
S 1
|
|
1 0.5882000 1.0000000
|
|
S 1
|
|
1 0.2311000 1.0000000
|
|
S 1
|
|
1 0.1027000 1.0000000
|
|
S 1
|
|
1 0.0452100 1.0000000
|
|
P 9
|
|
1 2884.0000000 0.0000638
|
|
2 683.2000000 0.0005631
|
|
3 222.0000000 0.0031691
|
|
4 84.8200000 0.0132401
|
|
5 35.8100000 0.0433403
|
|
6 16.2200000 0.1119500
|
|
7 7.7020000 0.2177960
|
|
8 3.7410000 0.3116750
|
|
9 1.8310000 0.3167220
|
|
P 9
|
|
1 2884.0000000 -0.0000080
|
|
2 683.2000000 -0.0000651
|
|
3 222.0000000 -0.0003999
|
|
4 84.8200000 -0.0015369
|
|
5 35.8100000 -0.0055644
|
|
6 16.2200000 -0.0131106
|
|
7 7.7020000 -0.0297200
|
|
8 3.7410000 -0.0347195
|
|
9 1.8310000 -0.0551621
|
|
P 1
|
|
1 0.8878000 1.0000000
|
|
P 1
|
|
1 0.3989000 1.0000000
|
|
P 1
|
|
1 0.1718000 1.0000000
|
|
P 1
|
|
1 0.0729800 1.0000000
|
|
P 1
|
|
1 0.0306900 1.0000000
|
|
D 1
|
|
1 2.2143000 1.0000000
|
|
D 1
|
|
1 0.9449000 1.0000000
|
|
D 1
|
|
1 0.4032000 1.0000000
|
|
D 1
|
|
1 0.1721000 1.0000000
|
|
D 1
|
|
1 0.0734300 1.0000000
|
|
F 1
|
|
1 0.8756000 1.0000000
|
|
F 1
|
|
1 0.4472000 1.0000000
|
|
F 1
|
|
1 0.2284000 1.0000000
|
|
F 1
|
|
1 0.1167000 1.0000000
|
|
G 1
|
|
1 0.6952000 1.0000000
|
|
G 1
|
|
1 0.3771000 1.0000000
|
|
G 1
|
|
1 0.2046000 1.0000000
|
|
H 1
|
|
1 0.6560000 1.0000000
|
|
H 1
|
|
1 0.3300000 1.0000000
|
|
I 1
|
|
1 0.5302000 1.0000000
|
|
|
|
SILICON
|
|
S 16
|
|
1 4465000.0000000 0.0000017
|
|
2 668500.0000000 0.0000136
|
|
3 152200.0000000 0.0000714
|
|
4 43300.0000000 0.0002973
|
|
5 14410.0000000 0.0010383
|
|
6 5394.0000000 0.0031747
|
|
7 2212.0000000 0.0087324
|
|
8 968.1000000 0.0223830
|
|
9 441.2000000 0.0537273
|
|
10 207.1000000 0.1166490
|
|
11 99.8000000 0.2159780
|
|
12 49.2400000 0.3095660
|
|
13 24.7400000 0.2839450
|
|
14 12.4700000 0.1222320
|
|
15 5.7950000 0.0141952
|
|
16 2.8300000 0.0003121
|
|
S 16
|
|
1 4465000.0000000 -0.0000005
|
|
2 668500.0000000 -0.0000036
|
|
3 152200.0000000 -0.0000190
|
|
4 43300.0000000 -0.0000791
|
|
5 14410.0000000 -0.0002769
|
|
6 5394.0000000 -0.0008472
|
|
7 2212.0000000 -0.0023478
|
|
8 968.1000000 -0.0060705
|
|
9 441.2000000 -0.0149711
|
|
10 207.1000000 -0.0339729
|
|
11 99.8000000 -0.0694584
|
|
12 49.2400000 -0.1190010
|
|
13 24.7400000 -0.1536450
|
|
14 12.4700000 -0.0704684
|
|
15 5.7950000 0.2131490
|
|
16 2.8300000 0.4915960
|
|
S 16
|
|
1 4465000.0000000 0.0000001
|
|
2 668500.0000000 0.0000009
|
|
3 152200.0000000 0.0000049
|
|
4 43300.0000000 0.0000203
|
|
5 14410.0000000 0.0000709
|
|
6 5394.0000000 0.0002172
|
|
7 2212.0000000 0.0006013
|
|
8 968.1000000 0.0015591
|
|
9 441.2000000 0.0038443
|
|
10 207.1000000 0.0087797
|
|
11 99.8000000 0.0180388
|
|
12 49.2400000 0.0315224
|
|
13 24.7400000 0.0416905
|
|
14 12.4700000 0.0200973
|
|
15 5.7950000 -0.0667484
|
|
16 2.8300000 -0.1819060
|
|
S 1
|
|
1 1.4070000 1.0000000
|
|
S 1
|
|
1 0.6995000 1.0000000
|
|
S 1
|
|
1 0.3083000 1.0000000
|
|
S 1
|
|
1 0.1385000 1.0000000
|
|
S 1
|
|
1 0.0614500 1.0000000
|
|
P 9
|
|
1 3572.0000000 0.0000599
|
|
2 846.0000000 0.0005296
|
|
3 274.8000000 0.0029958
|
|
4 105.0000000 0.0126335
|
|
5 44.3500000 0.0419044
|
|
6 20.0800000 0.1102590
|
|
7 9.5300000 0.2188310
|
|
8 4.6340000 0.3178280
|
|
9 2.2800000 0.3194250
|
|
P 9
|
|
1 3572.0000000 -0.0000128
|
|
2 846.0000000 -0.0001126
|
|
3 274.8000000 -0.0006402
|
|
4 105.0000000 -0.0027029
|
|
5 44.3500000 -0.0090789
|
|
6 20.0800000 -0.0242348
|
|
7 9.5300000 -0.0493460
|
|
8 4.6340000 -0.0725859
|
|
9 2.2800000 -0.0804258
|
|
P 1
|
|
1 1.1160000 1.0000000
|
|
P 1
|
|
1 0.4991000 1.0000000
|
|
P 1
|
|
1 0.2254000 1.0000000
|
|
P 1
|
|
1 0.1001000 1.0000000
|
|
P 1
|
|
1 0.0433200 1.0000000
|
|
D 1
|
|
1 3.2386000 1.0000000
|
|
D 1
|
|
1 1.3767000 1.0000000
|
|
D 1
|
|
1 0.5853000 1.0000000
|
|
D 1
|
|
1 0.2488000 1.0000000
|
|
D 1
|
|
1 0.1058000 1.0000000
|
|
F 1
|
|
1 1.3510000 1.0000000
|
|
F 1
|
|
1 0.6600000 1.0000000
|
|
F 1
|
|
1 0.3225000 1.0000000
|
|
F 1
|
|
1 0.1575000 1.0000000
|
|
G 1
|
|
1 0.8528000 1.0000000
|
|
G 1
|
|
1 0.4631000 1.0000000
|
|
G 1
|
|
1 0.2515000 1.0000000
|
|
H 1
|
|
1 0.8557000 1.0000000
|
|
H 1
|
|
1 0.4231000 1.0000000
|
|
I 1
|
|
1 0.6946000 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 16
|
|
1 5384000.0000000 0.0000016
|
|
2 806200.0000000 0.0000128
|
|
3 183600.0000000 0.0000672
|
|
4 52250.0000000 0.0002797
|
|
5 17390.0000000 0.0009767
|
|
6 6523.0000000 0.0029684
|
|
7 2687.0000000 0.0081240
|
|
8 1178.0000000 0.0209200
|
|
9 536.2000000 0.0505590
|
|
10 251.5000000 0.1104790
|
|
11 121.3000000 0.2069570
|
|
12 59.8800000 0.3047370
|
|
13 30.0500000 0.2929520
|
|
14 15.1200000 0.1355610
|
|
15 7.0100000 0.0173208
|
|
16 3.4410000 -0.0000352
|
|
S 16
|
|
1 5384000.0000000 -0.0000004
|
|
2 806200.0000000 -0.0000035
|
|
3 183600.0000000 -0.0000183
|
|
4 52250.0000000 -0.0000759
|
|
5 17390.0000000 -0.0002657
|
|
6 6523.0000000 -0.0008080
|
|
7 2687.0000000 -0.0022273
|
|
8 1178.0000000 -0.0057833
|
|
9 536.2000000 -0.0143438
|
|
10 251.5000000 -0.0327061
|
|
11 121.3000000 -0.0673716
|
|
12 59.8800000 -0.1176470
|
|
13 30.0500000 -0.1572800
|
|
14 15.1200000 -0.0838544
|
|
15 7.0100000 0.1997180
|
|
16 3.4410000 0.4986050
|
|
S 16
|
|
1 5384000.0000000 0.0000001
|
|
2 806200.0000000 0.0000010
|
|
3 183600.0000000 0.0000050
|
|
4 52250.0000000 0.0000209
|
|
5 17390.0000000 0.0000730
|
|
6 6523.0000000 0.0002221
|
|
7 2687.0000000 0.0006122
|
|
8 1178.0000000 0.0015918
|
|
9 536.2000000 0.0039534
|
|
10 251.5000000 0.0090572
|
|
11 121.3000000 0.0187909
|
|
12 59.8800000 0.0333831
|
|
13 30.0500000 0.0459484
|
|
14 15.1200000 0.0255240
|
|
15 7.0100000 -0.0669496
|
|
16 3.4410000 -0.2036450
|
|
S 1
|
|
1 1.7120000 1.0000000
|
|
S 1
|
|
1 0.8337000 1.0000000
|
|
S 1
|
|
1 0.3912000 1.0000000
|
|
S 1
|
|
1 0.1777000 1.0000000
|
|
S 1
|
|
1 0.0793900 1.0000000
|
|
P 9
|
|
1 4552.0000000 0.0000520
|
|
2 1078.0000000 0.0004604
|
|
3 350.1000000 0.0026208
|
|
4 133.8000000 0.0111873
|
|
5 56.5200000 0.0378229
|
|
6 25.5800000 0.1021160
|
|
7 12.1400000 0.2103140
|
|
8 5.9020000 0.3173830
|
|
9 2.9100000 0.3271650
|
|
P 9
|
|
1 4552.0000000 -0.0000124
|
|
2 1078.0000000 -0.0001094
|
|
3 350.1000000 -0.0006256
|
|
4 133.8000000 -0.0026734
|
|
5 56.5200000 -0.0091552
|
|
6 25.5800000 -0.0250993
|
|
7 12.1400000 -0.0531810
|
|
8 5.9020000 -0.0815888
|
|
9 2.9100000 -0.0919725
|
|
P 1
|
|
1 1.4350000 1.0000000
|
|
P 1
|
|
1 0.6570000 1.0000000
|
|
P 1
|
|
1 0.3005000 1.0000000
|
|
P 1
|
|
1 0.1340000 1.0000000
|
|
P 1
|
|
1 0.0578300 1.0000000
|
|
D 1
|
|
1 4.3008000 1.0000000
|
|
D 1
|
|
1 1.8346000 1.0000000
|
|
D 1
|
|
1 0.7826000 1.0000000
|
|
D 1
|
|
1 0.3339000 1.0000000
|
|
D 1
|
|
1 0.1424000 1.0000000
|
|
F 1
|
|
1 1.8160000 1.0000000
|
|
F 1
|
|
1 0.8806000 1.0000000
|
|
F 1
|
|
1 0.4270000 1.0000000
|
|
F 1
|
|
1 0.2070000 1.0000000
|
|
G 1
|
|
1 1.0616000 1.0000000
|
|
G 1
|
|
1 0.5791000 1.0000000
|
|
G 1
|
|
1 0.3159000 1.0000000
|
|
H 1
|
|
1 1.0850000 1.0000000
|
|
H 1
|
|
1 0.5277000 1.0000000
|
|
I 1
|
|
1 0.8890000 1.0000000
|
|
|
|
SULFUR
|
|
S 16
|
|
1 6297000.0000000 0.0000016
|
|
2 943100.0000000 0.0000124
|
|
3 214900.0000000 0.0000649
|
|
4 61250.0000000 0.0002693
|
|
5 20450.0000000 0.0009347
|
|
6 7719.0000000 0.0028083
|
|
7 3198.0000000 0.0076740
|
|
8 1402.0000000 0.0198898
|
|
9 637.2000000 0.0482589
|
|
10 298.9000000 0.1057570
|
|
11 144.3000000 0.2002230
|
|
12 71.2100000 0.3007280
|
|
13 35.7300000 0.2986880
|
|
14 17.9700000 0.1463470
|
|
15 8.3410000 0.0201159
|
|
16 4.1120000 -0.0002488
|
|
S 16
|
|
1 6297000.0000000 -0.0000004
|
|
2 943100.0000000 -0.0000034
|
|
3 214900.0000000 -0.0000179
|
|
4 61250.0000000 -0.0000744
|
|
5 20450.0000000 -0.0002587
|
|
6 7719.0000000 -0.0007777
|
|
7 3198.0000000 -0.0021396
|
|
8 1402.0000000 -0.0055906
|
|
9 637.2000000 -0.0139076
|
|
10 298.9000000 -0.0317689
|
|
11 144.3000000 -0.0659302
|
|
12 71.2100000 -0.1168320
|
|
13 35.7300000 -0.1597870
|
|
14 17.9700000 -0.0945322
|
|
15 8.3410000 0.1878280
|
|
16 4.1120000 0.5046830
|
|
S 16
|
|
1 6297000.0000000 0.0000001
|
|
2 943100.0000000 0.0000010
|
|
3 214900.0000000 0.0000052
|
|
4 61250.0000000 0.0000216
|
|
5 20450.0000000 0.0000751
|
|
6 7719.0000000 0.0002258
|
|
7 3198.0000000 0.0006217
|
|
8 1402.0000000 0.0016251
|
|
9 637.2000000 0.0040535
|
|
10 298.9000000 0.0092902
|
|
11 144.3000000 0.0194561
|
|
12 71.2100000 0.0350040
|
|
13 35.7300000 0.0494897
|
|
14 17.9700000 0.0303443
|
|
15 8.3410000 -0.0663661
|
|
16 4.1120000 -0.2231540
|
|
S 1
|
|
1 2.0450000 1.0000000
|
|
S 1
|
|
1 0.9770000 1.0000000
|
|
S 1
|
|
1 0.4766000 1.0000000
|
|
S 1
|
|
1 0.2185000 1.0000000
|
|
S 1
|
|
1 0.0975900 1.0000000
|
|
P 9
|
|
1 5266.0000000 0.0000523
|
|
2 1247.0000000 0.0004635
|
|
3 405.0000000 0.0026410
|
|
4 154.8000000 0.0113169
|
|
5 65.3800000 0.0384704
|
|
6 29.5900000 0.1043390
|
|
7 14.0400000 0.2156840
|
|
8 6.8240000 0.3252600
|
|
9 3.3690000 0.3261780
|
|
P 9
|
|
1 5266.0000000 -0.0000133
|
|
2 1247.0000000 -0.0001179
|
|
3 405.0000000 -0.0006759
|
|
4 154.8000000 -0.0028973
|
|
5 65.3800000 -0.0099980
|
|
6 29.5900000 -0.0275416
|
|
7 14.0400000 -0.0587943
|
|
8 6.8240000 -0.0903761
|
|
9 3.3690000 -0.0999891
|
|
P 1
|
|
1 1.6660000 1.0000000
|
|
P 1
|
|
1 0.7681000 1.0000000
|
|
P 1
|
|
1 0.3504000 1.0000000
|
|
P 1
|
|
1 0.1556000 1.0000000
|
|
P 1
|
|
1 0.0668100 1.0000000
|
|
D 1
|
|
1 5.0755000 1.0000000
|
|
D 1
|
|
1 2.1833000 1.0000000
|
|
D 1
|
|
1 0.9392000 1.0000000
|
|
D 1
|
|
1 0.4040000 1.0000000
|
|
D 1
|
|
1 0.1738000 1.0000000
|
|
F 1
|
|
1 2.2120000 1.0000000
|
|
F 1
|
|
1 1.0630000 1.0000000
|
|
F 1
|
|
1 0.5100000 1.0000000
|
|
F 1
|
|
1 0.2450000 1.0000000
|
|
G 1
|
|
1 1.3473000 1.0000000
|
|
G 1
|
|
1 0.7009000 1.0000000
|
|
G 1
|
|
1 0.3647000 1.0000000
|
|
H 1
|
|
1 1.2861000 1.0000000
|
|
H 1
|
|
1 0.6115000 1.0000000
|
|
I 1
|
|
1 1.0409000 1.0000000
|
|
|
|
CHLORINE
|
|
S 16
|
|
1 7733000.0000000 0.14347400E-05
|
|
2 1158000.0000000 0.11148600E-04
|
|
3 263700.0000000 0.58586500E-04
|
|
4 75010.0000000 0.24451800E-03
|
|
5 24890.0000000 0.85828700E-03
|
|
6 9318.0000000 0.26101900E-02
|
|
7 3840.0000000 0.71378400E-02
|
|
8 1684.0000000 0.18456400E-01
|
|
9 766.3000000 0.44894400E-01
|
|
10 359.5000000 0.99382200E-01
|
|
11 173.4000000 0.19078200
|
|
12 85.6100000 0.29356500
|
|
13 42.9300000 0.30647700
|
|
14 21.5500000 0.16220900
|
|
15 10.0500000 0.24938300E-01
|
|
16 4.9780000 -0.51314200E-03
|
|
S 16
|
|
1 7733000.0000000 -0.40222700E-06
|
|
2 1158000.0000000 -0.31244800E-05
|
|
3 263700.0000000 -0.16429000E-04
|
|
4 75010.0000000 -0.68542100E-04
|
|
5 24890.0000000 -0.24100100E-03
|
|
6 9318.0000000 -0.73353800E-03
|
|
7 3840.0000000 -0.20183000E-02
|
|
8 1684.0000000 -0.52610700E-02
|
|
9 766.3000000 -0.13098600E-01
|
|
10 359.5000000 -0.30179400E-01
|
|
11 173.4000000 -0.63188800E-01
|
|
12 85.6100000 -0.11385900
|
|
13 42.9300000 -0.16125100
|
|
14 21.5500000 -0.10923400
|
|
15 10.0500000 0.16299900
|
|
16 4.9780000 0.50141300
|
|
S 16
|
|
1 7733000.0000000 0.12169600E-06
|
|
2 1158000.0000000 0.94514100E-06
|
|
3 263700.0000000 0.49711900E-05
|
|
4 75010.0000000 0.20732300E-04
|
|
5 24890.0000000 0.72940200E-04
|
|
6 9318.0000000 0.22189900E-03
|
|
7 3840.0000000 0.61135500E-03
|
|
8 1684.0000000 0.15933700E-02
|
|
9 766.3000000 0.39800100E-02
|
|
10 359.5000000 0.91937500E-02
|
|
11 173.4000000 0.19439900E-01
|
|
12 85.6100000 0.35518700E-01
|
|
13 42.9300000 0.52067400E-01
|
|
14 21.5500000 0.36564400E-01
|
|
15 10.0500000 -0.59750000E-01
|
|
16 4.9780000 -0.23164100
|
|
S 1
|
|
1 2.4780000 1.0000000
|
|
S 1
|
|
1 1.1800000 1.0000000
|
|
S 1
|
|
1 0.5828000 1.0000000
|
|
S 1
|
|
1 0.2668000 1.0000000
|
|
S 1
|
|
1 0.1183000 1.0000000
|
|
P 9
|
|
1 6091.0000000 0.51619400E-04
|
|
2 1442.0000000 0.45846800E-03
|
|
3 468.3000000 0.26150900E-02
|
|
4 179.0000000 0.11255400E-01
|
|
5 75.6100000 0.38457700E-01
|
|
6 34.2200000 0.10508100E+00
|
|
7 16.2300000 0.21860300E+00
|
|
8 7.8900000 0.33087400E+00
|
|
9 3.8980000 0.32587900E+00
|
|
P 9
|
|
1 6091.0000000 -0.13925900E-04
|
|
2 1442.0000000 -0.12332400E-03
|
|
3 468.3000000 -0.70755100E-03
|
|
4 179.0000000 -0.30493900E-02
|
|
5 75.6100000 -0.10575200E-01
|
|
6 34.2200000 -0.29409400E-01
|
|
7 16.2300000 -0.63229600E-01
|
|
8 7.8900000 -0.98187000E-01
|
|
9 3.8980000 -0.10587000E+00
|
|
P 1
|
|
1 1.9330000 1.0000000
|
|
P 1
|
|
1 0.9057000 1.0000000
|
|
P 1
|
|
1 0.4140000 1.0000000
|
|
P 1
|
|
1 0.1836000 1.0000000
|
|
P 1
|
|
1 0.0785900 1.0000000
|
|
D 1
|
|
1 6.2428000 1.0000000
|
|
D 1
|
|
1 2.6906000 1.0000000
|
|
D 1
|
|
1 1.1596000 1.0000000
|
|
D 1
|
|
1 0.4998000 1.0000000
|
|
D 1
|
|
1 0.2154000 1.0000000
|
|
F 1
|
|
1 2.5327000 1.0000000
|
|
F 1
|
|
1 1.2406000 1.0000000
|
|
F 1
|
|
1 0.6077000 1.0000000
|
|
F 1
|
|
1 0.2977000 1.0000000
|
|
G 1
|
|
1 1.5388000 1.0000000
|
|
G 1
|
|
1 0.8050000 1.0000000
|
|
G 1
|
|
1 0.4212000 1.0000000
|
|
H 1
|
|
1 1.5613000 1.0000000
|
|
H 1
|
|
1 0.7397000 1.0000000
|
|
I 1
|
|
1 1.2572000 1.0000000
|
|
|
|
ARGON
|
|
S 16
|
|
1 9149000.0000000 0.0000013
|
|
2 1370000.0000000 0.0000104
|
|
3 311900.0000000 0.0000549
|
|
4 88650.0000000 0.0002296
|
|
5 29330.0000000 0.0008103
|
|
6 10930.0000000 0.0024853
|
|
7 4480.0000000 0.0068369
|
|
8 1962.0000000 0.0176199
|
|
9 894.1000000 0.0428752
|
|
10 419.6000000 0.0954853
|
|
11 202.3000000 0.1850640
|
|
12 99.8400000 0.2890420
|
|
13 50.0700000 0.3101660
|
|
14 25.1400000 0.1721830
|
|
15 11.8100000 0.0285227
|
|
16 5.8820000 -0.0005757
|
|
S 16
|
|
1 9149000.0000000 -0.0000004
|
|
2 1370000.0000000 -0.0000030
|
|
3 311900.0000000 -0.0000156
|
|
4 88650.0000000 -0.0000652
|
|
5 29330.0000000 -0.0002304
|
|
6 10930.0000000 -0.0007075
|
|
7 4480.0000000 -0.0019573
|
|
8 1962.0000000 -0.0050856
|
|
9 894.1000000 -0.0126528
|
|
10 419.6000000 -0.0293065
|
|
11 202.3000000 -0.0617712
|
|
12 99.8400000 -0.1125410
|
|
13 50.0700000 -0.1622930
|
|
14 25.1400000 -0.1184120
|
|
15 11.8100000 0.1461480
|
|
16 5.8820000 0.4977520
|
|
S 16
|
|
1 9149000.0000000 0.0000001
|
|
2 1370000.0000000 0.0000009
|
|
3 311900.0000000 0.0000049
|
|
4 88650.0000000 0.0000204
|
|
5 29330.0000000 0.0000720
|
|
6 10930.0000000 0.0002210
|
|
7 4480.0000000 0.0006125
|
|
8 1962.0000000 0.0015908
|
|
9 894.1000000 0.0039722
|
|
10 419.6000000 0.0092204
|
|
11 202.3000000 0.0196367
|
|
12 99.8400000 0.0362570
|
|
13 50.0700000 0.0541725
|
|
14 25.1400000 0.0409996
|
|
15 11.8100000 -0.0551744
|
|
16 5.8820000 -0.2387540
|
|
S 1
|
|
1 2.9390000 1.0000000
|
|
S 1
|
|
1 1.4050000 1.0000000
|
|
S 1
|
|
1 0.6963000 1.0000000
|
|
S 1
|
|
1 0.3188000 1.0000000
|
|
S 1
|
|
1 0.1410000 1.0000000
|
|
P 9
|
|
1 7050.0000000 0.0000502
|
|
2 1669.0000000 0.0004454
|
|
3 542.1000000 0.0025480
|
|
4 207.1000000 0.0110155
|
|
5 87.5200000 0.0378490
|
|
6 39.6100000 0.1043550
|
|
7 18.7800000 0.2193350
|
|
8 9.1300000 0.3346150
|
|
9 4.5160000 0.3267710
|
|
P 9
|
|
1 7050.0000000 -0.0000140
|
|
2 1669.0000000 -0.0001243
|
|
3 542.1000000 -0.0007147
|
|
4 207.1000000 -0.0030968
|
|
5 87.5200000 -0.0107961
|
|
6 39.6100000 -0.0303536
|
|
7 18.7800000 -0.0659785
|
|
8 9.1300000 -0.1038770
|
|
9 4.5160000 -0.1099560
|
|
P 1
|
|
1 2.2450000 1.0000000
|
|
P 1
|
|
1 1.0650000 1.0000000
|
|
P 1
|
|
1 0.4885000 1.0000000
|
|
P 1
|
|
1 0.2166000 1.0000000
|
|
P 1
|
|
1 0.0925500 1.0000000
|
|
D 1
|
|
1 7.6327000 1.0000000
|
|
D 1
|
|
1 3.2876000 1.0000000
|
|
D 1
|
|
1 1.4160000 1.0000000
|
|
D 1
|
|
1 0.6099000 1.0000000
|
|
D 1
|
|
1 0.2627000 1.0000000
|
|
F 1
|
|
1 3.0582000 1.0000000
|
|
F 1
|
|
1 1.5292000 1.0000000
|
|
F 1
|
|
1 0.7647000 1.0000000
|
|
F 1
|
|
1 0.3824000 1.0000000
|
|
G 1
|
|
1 1.8450000 1.0000000
|
|
G 1
|
|
1 0.9657000 1.0000000
|
|
G 1
|
|
1 0.5055000 1.0000000
|
|
H 1
|
|
1 1.8743000 1.0000000
|
|
H 1
|
|
1 0.8871000 1.0000000
|
|
I 1
|
|
1 1.5066000 1.0000000
|
|
|
|
|