1747 lines
52 KiB
Plaintext
1747 lines
52 KiB
Plaintext
!----------------------------------------------------------------------
|
|
! Basis Set Exchange
|
|
! Version 2.1.0+44.g1191679.dirty
|
|
! https://www.basissetexchange.org
|
|
!----------------------------------------------------------------------
|
|
! Basis set: cc-pCV5Z
|
|
! Description: cc-pCV5Z
|
|
! Role: orbital
|
|
! Version: 0 (Data from the original Basis Set Exchange)
|
|
!----------------------------------------------------------------------
|
|
|
|
|
|
$DATA
|
|
|
|
BORON
|
|
S 14
|
|
1 68260.0000000 0.0000240
|
|
2 10230.0000000 0.0001850
|
|
3 2328.0000000 0.0009700
|
|
4 660.4000000 0.0040560
|
|
5 216.2000000 0.0143990
|
|
6 78.6000000 0.0439010
|
|
7 30.9800000 0.1130570
|
|
8 12.9600000 0.2338250
|
|
9 5.6590000 0.3539600
|
|
10 2.5560000 0.3015470
|
|
11 1.1750000 0.0875210
|
|
12 0.4249000 0.0028190
|
|
13 0.1712000 0.0000430
|
|
14 0.0691300 0.0000780
|
|
S 14
|
|
1 68260.0000000 -0.0000050
|
|
2 10230.0000000 -0.0000370
|
|
3 2328.0000000 -0.0001960
|
|
4 660.4000000 -0.0008240
|
|
5 216.2000000 -0.0029230
|
|
6 78.6000000 -0.0091380
|
|
7 30.9800000 -0.0241050
|
|
8 12.9600000 -0.0547550
|
|
9 5.6590000 -0.0969430
|
|
10 2.5560000 -0.1374850
|
|
11 1.1750000 -0.0445650
|
|
12 0.4249000 0.3243450
|
|
13 0.1712000 0.5704140
|
|
14 0.0691300 0.2434440
|
|
S 1
|
|
1 74.4960000 1.0000000
|
|
S 1
|
|
1 32.8900000 1.0000000
|
|
S 1
|
|
1 14.5210000 1.0000000
|
|
S 1
|
|
1 6.4110000 1.0000000
|
|
S 1
|
|
1 1.1750000 1.0000000
|
|
S 1
|
|
1 0.4249000 1.0000000
|
|
S 1
|
|
1 0.1712000 1.0000000
|
|
S 1
|
|
1 0.0691300 1.0000000
|
|
P 8
|
|
1 66.4400000 0.0008380
|
|
2 15.7100000 0.0064090
|
|
3 4.9360000 0.0280810
|
|
4 1.7700000 0.0921520
|
|
5 0.7008000 0.2241640
|
|
6 0.2901000 0.3699150
|
|
7 0.1211000 0.3744410
|
|
8 0.0497300 0.1390860
|
|
P 1
|
|
1 86.4670000 1.0000000
|
|
P 1
|
|
1 33.8160000 1.0000000
|
|
P 1
|
|
1 13.2250000 1.0000000
|
|
P 1
|
|
1 5.1720000 1.0000000
|
|
P 1
|
|
1 0.7008000 1.0000000
|
|
P 1
|
|
1 0.2901000 1.0000000
|
|
P 1
|
|
1 0.1211000 1.0000000
|
|
P 1
|
|
1 0.0497300 1.0000000
|
|
D 1
|
|
1 55.0420000 1.0000000
|
|
D 1
|
|
1 19.7210000 1.0000000
|
|
D 1
|
|
1 7.0660000 1.0000000
|
|
D 1
|
|
1 2.0100000 1.0000000
|
|
D 1
|
|
1 0.7960000 1.0000000
|
|
D 1
|
|
1 0.3160000 1.0000000
|
|
D 1
|
|
1 0.1250000 1.0000000
|
|
F 1
|
|
1 33.0900000 1.0000000
|
|
F 1
|
|
1 9.9940000 1.0000000
|
|
F 1
|
|
1 1.2150000 1.0000000
|
|
F 1
|
|
1 0.5250000 1.0000000
|
|
F 1
|
|
1 0.2270000 1.0000000
|
|
G 1
|
|
1 24.0200000 1.0000000
|
|
G 1
|
|
1 1.1240000 1.0000000
|
|
G 1
|
|
1 0.4610000 1.0000000
|
|
H 1
|
|
1 0.8340000 1.0000000
|
|
|
|
CARBON
|
|
S 14
|
|
1 96770.0000000 0.0000250
|
|
2 14500.0000000 0.0001900
|
|
3 3300.0000000 0.0010000
|
|
4 935.8000000 0.0041830
|
|
5 306.2000000 0.0148590
|
|
6 111.3000000 0.0453010
|
|
7 43.9000000 0.1165040
|
|
8 18.4000000 0.2402490
|
|
9 8.0540000 0.3587990
|
|
10 3.6370000 0.2939410
|
|
11 1.6560000 0.0776650
|
|
12 0.6333000 0.0023330
|
|
13 0.2545000 0.0005050
|
|
14 0.1019000 0.0000300
|
|
S 14
|
|
1 96770.0000000 -0.0000050
|
|
2 14500.0000000 -0.0000410
|
|
3 3300.0000000 -0.0002130
|
|
4 935.8000000 -0.0008970
|
|
5 306.2000000 -0.0031870
|
|
6 111.3000000 -0.0099610
|
|
7 43.9000000 -0.0263750
|
|
8 18.4000000 -0.0600010
|
|
9 8.0540000 -0.1068250
|
|
10 3.6370000 -0.1441660
|
|
11 1.6560000 -0.0246442
|
|
12 0.6333000 0.3490090
|
|
13 0.2545000 0.5587370
|
|
14 0.1019000 0.2281020
|
|
S 1
|
|
1 106.5880000 1.0000000
|
|
S 1
|
|
1 47.0800000 1.0000000
|
|
S 1
|
|
1 20.7950000 1.0000000
|
|
S 1
|
|
1 9.1850000 1.0000000
|
|
S 1
|
|
1 1.6560000 1.0000000
|
|
S 1
|
|
1 0.6333000 1.0000000
|
|
S 1
|
|
1 0.2545000 1.0000000
|
|
S 1
|
|
1 0.1019000 1.0000000
|
|
P 8
|
|
1 101.8000000 0.0008910
|
|
2 24.0400000 0.0069760
|
|
3 7.5710000 0.0316690
|
|
4 2.7320000 0.1040060
|
|
5 1.0850000 0.2416330
|
|
6 0.4496000 0.3719460
|
|
7 0.1876000 0.3542000
|
|
8 0.0760600 0.1315680
|
|
P 1
|
|
1 125.8040000 1.0000000
|
|
P 1
|
|
1 49.5100000 1.0000000
|
|
P 1
|
|
1 19.4840000 1.0000000
|
|
P 1
|
|
1 7.6680000 1.0000000
|
|
P 1
|
|
1 1.0850000 1.0000000
|
|
P 1
|
|
1 0.4496000 1.0000000
|
|
P 1
|
|
1 0.1876000 1.0000000
|
|
P 1
|
|
1 0.0760600 1.0000000
|
|
D 1
|
|
1 78.6950000 1.0000000
|
|
D 1
|
|
1 28.0650000 1.0000000
|
|
D 1
|
|
1 10.0090000 1.0000000
|
|
D 1
|
|
1 3.1340000 1.0000000
|
|
D 1
|
|
1 1.2330000 1.0000000
|
|
D 1
|
|
1 0.4850000 1.0000000
|
|
D 1
|
|
1 0.1910000 1.0000000
|
|
F 1
|
|
1 41.5690000 1.0000000
|
|
F 1
|
|
1 11.6930000 1.0000000
|
|
F 1
|
|
1 2.0060000 1.0000000
|
|
F 1
|
|
1 0.8380000 1.0000000
|
|
F 1
|
|
1 0.3500000 1.0000000
|
|
G 1
|
|
1 32.7800000 1.0000000
|
|
G 1
|
|
1 1.7530000 1.0000000
|
|
G 1
|
|
1 0.6780000 1.0000000
|
|
H 1
|
|
1 1.2590000 1.0000000
|
|
|
|
NITROGEN
|
|
S 14
|
|
1 129200.0000000 0.0000250
|
|
2 19350.0000000 0.0001970
|
|
3 4404.0000000 0.0010320
|
|
4 1248.0000000 0.0043250
|
|
5 408.0000000 0.0153800
|
|
6 148.2000000 0.0468670
|
|
7 58.5000000 0.1201160
|
|
8 24.5900000 0.2456950
|
|
9 10.8100000 0.3613790
|
|
10 4.8820000 0.2872830
|
|
11 2.1950000 0.0701710
|
|
12 0.8715000 0.0018310
|
|
13 0.3504000 0.0008350
|
|
14 0.1397000 -0.0000060
|
|
S 14
|
|
1 129200.0000000 -0.0000060
|
|
2 19350.0000000 -0.0000430
|
|
3 4404.0000000 -0.0002270
|
|
4 1248.0000000 -0.0009580
|
|
5 408.0000000 -0.0034160
|
|
6 148.2000000 -0.0106670
|
|
7 58.5000000 -0.0282790
|
|
8 24.5900000 -0.0640200
|
|
9 10.8100000 -0.1139320
|
|
10 4.8820000 -0.1469950
|
|
11 2.1950000 -0.0072510
|
|
12 0.8715000 0.3661830
|
|
13 0.3504000 0.5479080
|
|
14 0.1397000 0.2166450
|
|
S 1
|
|
1 143.0130000 1.0000000
|
|
S 1
|
|
1 63.0850000 1.0000000
|
|
S 1
|
|
1 27.8270000 1.0000000
|
|
S 1
|
|
1 12.2750000 1.0000000
|
|
S 1
|
|
1 2.1950000 1.0000000
|
|
S 1
|
|
1 0.8715000 1.0000000
|
|
S 1
|
|
1 0.3504000 1.0000000
|
|
S 1
|
|
1 0.1397000 1.0000000
|
|
P 8
|
|
1 147.0000000 0.0008920
|
|
2 34.7600000 0.0070820
|
|
3 11.0000000 0.0328160
|
|
4 3.9950000 0.1082090
|
|
5 1.5870000 0.2480940
|
|
6 0.6533000 0.3745130
|
|
7 0.2686000 0.3484140
|
|
8 0.1067000 0.1283400
|
|
P 1
|
|
1 173.4250000 1.0000000
|
|
P 1
|
|
1 68.6560000 1.0000000
|
|
P 1
|
|
1 27.1800000 1.0000000
|
|
P 1
|
|
1 10.7600000 1.0000000
|
|
P 1
|
|
1 1.5870000 1.0000000
|
|
P 1
|
|
1 0.6533000 1.0000000
|
|
P 1
|
|
1 0.2686000 1.0000000
|
|
P 1
|
|
1 0.1067000 1.0000000
|
|
D 1
|
|
1 108.6850000 1.0000000
|
|
D 1
|
|
1 39.0810000 1.0000000
|
|
D 1
|
|
1 14.0530000 1.0000000
|
|
D 1
|
|
1 4.6470000 1.0000000
|
|
D 1
|
|
1 1.8130000 1.0000000
|
|
D 1
|
|
1 0.7070000 1.0000000
|
|
D 1
|
|
1 0.2760000 1.0000000
|
|
F 1
|
|
1 52.6900000 1.0000000
|
|
F 1
|
|
1 14.3570000 1.0000000
|
|
F 1
|
|
1 2.9420000 1.0000000
|
|
F 1
|
|
1 1.2040000 1.0000000
|
|
F 1
|
|
1 0.4930000 1.0000000
|
|
G 1
|
|
1 41.1200000 1.0000000
|
|
G 1
|
|
1 2.5110000 1.0000000
|
|
G 1
|
|
1 0.9420000 1.0000000
|
|
H 1
|
|
1 1.7680000 1.0000000
|
|
|
|
OXYGEN
|
|
S 14
|
|
1 164200.0000000 0.0000260
|
|
2 24590.0000000 0.0002050
|
|
3 5592.0000000 0.0010760
|
|
4 1582.0000000 0.0045220
|
|
5 516.1000000 0.0161080
|
|
6 187.2000000 0.0490850
|
|
7 73.9300000 0.1248570
|
|
8 31.2200000 0.2516860
|
|
9 13.8100000 0.3624200
|
|
10 6.2560000 0.2790510
|
|
11 2.7760000 0.0635520
|
|
12 1.1380000 0.0010630
|
|
13 0.4600000 0.0011440
|
|
14 0.1829000 -0.0000400
|
|
S 14
|
|
1 164200.0000000 -0.0000060
|
|
2 24590.0000000 -0.0000460
|
|
3 5592.0000000 -0.0002440
|
|
4 1582.0000000 -0.0010310
|
|
5 516.1000000 -0.0036880
|
|
6 187.2000000 -0.0115140
|
|
7 73.9300000 -0.0304350
|
|
8 31.2200000 -0.0681470
|
|
9 13.8100000 -0.1203680
|
|
10 6.2560000 -0.1482600
|
|
11 2.7760000 0.0099050
|
|
12 1.1380000 0.3842860
|
|
13 0.4600000 0.5368050
|
|
14 0.1829000 0.2026870
|
|
S 1
|
|
1 188.6200000 1.0000000
|
|
S 1
|
|
1 82.2590000 1.0000000
|
|
S 1
|
|
1 35.8740000 1.0000000
|
|
S 1
|
|
1 15.6450000 1.0000000
|
|
S 1
|
|
1 2.7760000 1.0000000
|
|
S 1
|
|
1 1.1380000 1.0000000
|
|
S 1
|
|
1 0.4600000 1.0000000
|
|
S 1
|
|
1 0.1829000 1.0000000
|
|
P 8
|
|
1 195.5000000 0.0009180
|
|
2 46.1600000 0.0073880
|
|
3 14.5800000 0.0349580
|
|
4 5.2960000 0.1154310
|
|
5 2.0940000 0.2568030
|
|
6 0.8471000 0.3739380
|
|
7 0.3368000 0.3434470
|
|
8 0.1285000 0.1297060
|
|
P 1
|
|
1 225.6300000 1.0000000
|
|
P 1
|
|
1 89.4290000 1.0000000
|
|
P 1
|
|
1 35.4460000 1.0000000
|
|
P 1
|
|
1 14.0490000 1.0000000
|
|
P 1
|
|
1 2.0940000 1.0000000
|
|
P 1
|
|
1 0.8471000 1.0000000
|
|
P 1
|
|
1 0.3368000 1.0000000
|
|
P 1
|
|
1 0.1285000 1.0000000
|
|
D 1
|
|
1 134.0560000 1.0000000
|
|
D 1
|
|
1 47.3200000 1.0000000
|
|
D 1
|
|
1 16.7030000 1.0000000
|
|
D 1
|
|
1 5.8790000 1.0000000
|
|
D 1
|
|
1 2.3070000 1.0000000
|
|
D 1
|
|
1 0.9050000 1.0000000
|
|
D 1
|
|
1 0.3550000 1.0000000
|
|
F 1
|
|
1 65.5460000 1.0000000
|
|
F 1
|
|
1 17.3540000 1.0000000
|
|
F 1
|
|
1 4.0160000 1.0000000
|
|
F 1
|
|
1 1.5540000 1.0000000
|
|
F 1
|
|
1 0.6010000 1.0000000
|
|
G 1
|
|
1 48.5780000 1.0000000
|
|
G 1
|
|
1 3.3500000 1.0000000
|
|
G 1
|
|
1 1.1890000 1.0000000
|
|
H 1
|
|
1 2.3190000 1.0000000
|
|
|
|
FLUORINE
|
|
S 14
|
|
1 211400.0000000 0.0000260
|
|
2 31660.0000000 0.0002010
|
|
3 7202.0000000 0.0010560
|
|
4 2040.0000000 0.0044320
|
|
5 666.4000000 0.0157660
|
|
6 242.0000000 0.0481120
|
|
7 95.5300000 0.1232320
|
|
8 40.2300000 0.2515190
|
|
9 17.7200000 0.3645250
|
|
10 8.0050000 0.2797660
|
|
11 3.5380000 0.0635450
|
|
12 1.4580000 0.0011110
|
|
13 0.5887000 0.0012580
|
|
14 0.2324000 -0.0000350
|
|
S 14
|
|
1 211400.0000000 -0.0000060
|
|
2 31660.0000000 -0.0000470
|
|
3 7202.0000000 -0.0002440
|
|
4 2040.0000000 -0.0010310
|
|
5 666.4000000 -0.0036830
|
|
6 242.0000000 -0.0115130
|
|
7 95.5300000 -0.0306630
|
|
8 40.2300000 -0.0695720
|
|
9 17.7200000 -0.1239920
|
|
10 8.0050000 -0.1502140
|
|
11 3.5380000 0.0164600
|
|
12 1.4580000 0.3925500
|
|
13 0.5887000 0.5321640
|
|
14 0.2324000 0.1965240
|
|
S 1
|
|
1 228.8240000 1.0000000
|
|
S 1
|
|
1 101.3390000 1.0000000
|
|
S 1
|
|
1 44.8800000 1.0000000
|
|
S 1
|
|
1 19.8760000 1.0000000
|
|
S 1
|
|
1 3.5380000 1.0000000
|
|
S 1
|
|
1 1.4580000 1.0000000
|
|
S 1
|
|
1 0.5887000 1.0000000
|
|
S 1
|
|
1 0.2324000 1.0000000
|
|
P 8
|
|
1 241.9000000 0.0010020
|
|
2 57.1700000 0.0080540
|
|
3 18.1300000 0.0380480
|
|
4 6.6240000 0.1237790
|
|
5 2.6220000 0.2660600
|
|
6 1.0570000 0.3717960
|
|
7 0.4176000 0.3328900
|
|
8 0.1574000 0.1284910
|
|
P 1
|
|
1 277.9380000 1.0000000
|
|
P 1
|
|
1 110.1620000 1.0000000
|
|
P 1
|
|
1 43.6630000 1.0000000
|
|
P 1
|
|
1 17.3060000 1.0000000
|
|
P 1
|
|
1 2.6220000 1.0000000
|
|
P 1
|
|
1 1.0570000 1.0000000
|
|
P 1
|
|
1 0.4176000 1.0000000
|
|
P 1
|
|
1 0.1574000 1.0000000
|
|
D 1
|
|
1 170.8900000 1.0000000
|
|
D 1
|
|
1 60.9550000 1.0000000
|
|
D 1
|
|
1 21.7310000 1.0000000
|
|
D 1
|
|
1 7.7600000 1.0000000
|
|
D 1
|
|
1 3.0320000 1.0000000
|
|
D 1
|
|
1 1.1850000 1.0000000
|
|
D 1
|
|
1 0.4630000 1.0000000
|
|
F 1
|
|
1 82.2900000 1.0000000
|
|
F 1
|
|
1 22.3370000 1.0000000
|
|
F 1
|
|
1 5.3980000 1.0000000
|
|
F 1
|
|
1 2.0780000 1.0000000
|
|
F 1
|
|
1 0.8000000 1.0000000
|
|
G 1
|
|
1 49.7270000 1.0000000
|
|
G 1
|
|
1 4.3380000 1.0000000
|
|
G 1
|
|
1 1.5130000 1.0000000
|
|
H 1
|
|
1 2.9950000 1.0000000
|
|
|
|
NEON
|
|
S 14
|
|
1 262700.0000000 0.0000260
|
|
2 39350.0000000 0.0002000
|
|
3 8955.0000000 0.0010500
|
|
4 2538.0000000 0.0044000
|
|
5 829.9000000 0.0156490
|
|
6 301.5000000 0.0477580
|
|
7 119.0000000 0.1229430
|
|
8 50.0000000 0.2524830
|
|
9 21.9800000 0.3663140
|
|
10 9.8910000 0.2796170
|
|
11 4.3270000 0.0616510
|
|
12 1.8040000 0.0009340
|
|
13 0.7288000 0.0013670
|
|
14 0.2867000 -0.0000380
|
|
S 14
|
|
1 262700.0000000 -0.0000060
|
|
2 39350.0000000 -0.0000470
|
|
3 8955.0000000 -0.0002470
|
|
4 2538.0000000 -0.0010380
|
|
5 829.9000000 -0.0037110
|
|
6 301.5000000 -0.0115930
|
|
7 119.0000000 -0.0310860
|
|
8 50.0000000 -0.0709720
|
|
9 21.9800000 -0.1272660
|
|
10 9.8910000 -0.1512310
|
|
11 4.3270000 0.0246660
|
|
12 1.8040000 0.3996120
|
|
13 0.7288000 0.5266160
|
|
14 0.2867000 0.1908540
|
|
S 1
|
|
1 276.5710000 1.0000000
|
|
S 1
|
|
1 122.9750000 1.0000000
|
|
S 1
|
|
1 54.6800000 1.0000000
|
|
S 1
|
|
1 24.3130000 1.0000000
|
|
S 1
|
|
1 4.3270000 1.0000000
|
|
S 1
|
|
1 1.8040000 1.0000000
|
|
S 1
|
|
1 0.7288000 1.0000000
|
|
S 1
|
|
1 0.2867000 1.0000000
|
|
P 8
|
|
1 299.1000000 0.0010380
|
|
2 70.7300000 0.0083750
|
|
3 22.4800000 0.0396930
|
|
4 8.2460000 0.1280560
|
|
5 3.2690000 0.2703250
|
|
6 1.3150000 0.3709630
|
|
7 0.5158000 0.3284990
|
|
8 0.1918000 0.1275880
|
|
P 1
|
|
1 341.4140000 1.0000000
|
|
P 1
|
|
1 135.4280000 1.0000000
|
|
P 1
|
|
1 53.7200000 1.0000000
|
|
P 1
|
|
1 21.3090000 1.0000000
|
|
P 1
|
|
1 3.2690000 1.0000000
|
|
P 1
|
|
1 1.3150000 1.0000000
|
|
P 1
|
|
1 0.5158000 1.0000000
|
|
P 1
|
|
1 0.1918000 1.0000000
|
|
D 1
|
|
1 212.1760000 1.0000000
|
|
D 1
|
|
1 75.7500000 1.0000000
|
|
D 1
|
|
1 27.0440000 1.0000000
|
|
D 1
|
|
1 9.8370000 1.0000000
|
|
D 1
|
|
1 3.8440000 1.0000000
|
|
D 1
|
|
1 1.5020000 1.0000000
|
|
D 1
|
|
1 0.5870000 1.0000000
|
|
F 1
|
|
1 102.5860000 1.0000000
|
|
F 1
|
|
1 28.0290000 1.0000000
|
|
F 1
|
|
1 7.0900000 1.0000000
|
|
F 1
|
|
1 2.7380000 1.0000000
|
|
F 1
|
|
1 1.0570000 1.0000000
|
|
G 1
|
|
1 38.7940000 1.0000000
|
|
G 1
|
|
1 5.4600000 1.0000000
|
|
G 1
|
|
1 1.8800000 1.0000000
|
|
H 1
|
|
1 3.7760000 1.0000000
|
|
|
|
SODIUM
|
|
S 19
|
|
1 1224000.0000000 0.00000500
|
|
2 183200.0000000 0.00003700
|
|
3 41700.0000000 0.00019600
|
|
4 11810.0000000 0.00082700
|
|
5 3853.0000000 0.00300300
|
|
6 1391.0000000 0.00970300
|
|
7 542.5000000 0.02823400
|
|
8 224.9000000 0.07320600
|
|
9 97.9300000 0.16289700
|
|
10 44.3100000 0.28870800
|
|
11 20.6500000 0.34682900
|
|
12 9.7290000 0.20686500
|
|
13 4.2280000 0.03280100
|
|
14 1.9690000 -0.00064800
|
|
15 0.8890000 0.00145900
|
|
16 0.3964000 -0.00017800
|
|
17 0.0699300 0.00009100
|
|
18 0.0328900 -0.00008300
|
|
19 0.0161200 0.00002900
|
|
S 19
|
|
1 1224000.0000000 -0.00000100
|
|
2 183200.0000000 -0.00000900
|
|
3 41700.0000000 -0.00004800
|
|
4 11810.0000000 -0.00020200
|
|
5 3853.0000000 -0.00073600
|
|
6 1391.0000000 -0.00238700
|
|
7 542.5000000 -0.00705000
|
|
8 224.9000000 -0.01878600
|
|
9 97.9300000 -0.04461500
|
|
10 44.3100000 -0.08977400
|
|
11 20.6500000 -0.14294000
|
|
12 9.7290000 -0.12431500
|
|
13 4.2280000 0.09996500
|
|
14 1.9690000 0.41708000
|
|
15 0.8890000 0.47512300
|
|
16 0.3964000 0.16326800
|
|
17 0.0699300 0.00309500
|
|
18 0.0328900 -0.00155300
|
|
19 0.0161200 0.00055800
|
|
S 18
|
|
1 183200.0000000 0.00000100
|
|
2 41700.0000000 0.00000700
|
|
3 11810.0000000 0.00003000
|
|
4 3853.0000000 0.00011100
|
|
5 1391.0000000 0.00035900
|
|
6 542.5000000 0.00106300
|
|
7 224.9000000 0.00282700
|
|
8 97.9300000 0.00676700
|
|
9 44.3100000 0.01364800
|
|
10 20.6500000 0.02228100
|
|
11 9.7290000 0.01960100
|
|
12 4.2280000 -0.01677100
|
|
13 1.9690000 -0.07737300
|
|
14 0.8890000 -0.11350100
|
|
15 0.3964000 -0.13913000
|
|
16 0.0699300 0.44008300
|
|
17 0.0328900 0.53895200
|
|
18 0.0161200 0.13388900
|
|
S 1
|
|
1 157.4890000 1.00000000
|
|
S 1
|
|
1 27.9270000 1.0000000
|
|
S 1
|
|
1 4.9520000 1.0000000
|
|
S 1
|
|
1 0.8780000 1.0000000
|
|
S 1
|
|
1 0.3964000 1.0000000
|
|
S 1
|
|
1 0.0699300 1.0000000
|
|
S 1
|
|
1 0.0328900 1.0000000
|
|
S 1
|
|
1 0.0161200 1.0000000
|
|
P 12
|
|
1 413.4000000 0.00090800
|
|
2 97.9800000 0.00741800
|
|
3 31.3700000 0.03574600
|
|
4 11.6200000 0.11852000
|
|
5 4.6710000 0.26140300
|
|
6 1.9180000 0.37839500
|
|
7 0.7775000 0.33463200
|
|
8 0.3013000 0.12684400
|
|
9 0.2275000 -0.01471200
|
|
10 0.0752700 0.00568600
|
|
11 0.0312600 -0.00171000
|
|
12 0.0134200 0.00054700
|
|
P 12
|
|
1 413.4000000 -0.00009000
|
|
2 97.9800000 -0.00073900
|
|
3 31.3700000 -0.00357300
|
|
4 11.6200000 -0.01201400
|
|
5 4.6710000 -0.02671800
|
|
6 1.9180000 -0.03927500
|
|
7 0.7775000 -0.03760800
|
|
8 0.3013000 -0.04332300
|
|
9 0.2275000 0.05180000
|
|
10 0.0752700 0.26019400
|
|
11 0.0312600 0.54968100
|
|
12 0.0134200 0.28187200
|
|
P 1
|
|
1 9.8690000 1.0000000
|
|
P 1
|
|
1 4.4140000 1.0000000
|
|
P 1
|
|
1 1.9740000 1.0000000
|
|
P 1
|
|
1 0.8830000 1.0000000
|
|
P 1
|
|
1 0.2275000 1.0000000
|
|
P 1
|
|
1 0.0752700 1.0000000
|
|
P 1
|
|
1 0.0312600 1.0000000
|
|
P 1
|
|
1 0.0134200 1.0000000
|
|
D 1
|
|
1 14.4010000 1.0000000
|
|
D 1
|
|
1 6.1840000 1.0000000
|
|
D 1
|
|
1 2.6560000 1.0000000
|
|
D 1
|
|
1 1.1400000 1.0000000
|
|
D 1
|
|
1 0.2734000 1.0000000
|
|
D 1
|
|
1 0.1538000 1.0000000
|
|
D 1
|
|
1 0.0865000 1.0000000
|
|
D 1
|
|
1 0.0487000 1.0000000
|
|
F 1
|
|
1 10.5240000 1.0000000
|
|
F 1
|
|
1 4.4050000 1.0000000
|
|
F 1
|
|
1 1.8440000 1.0000000
|
|
F 1
|
|
1 0.4000000 1.0000000
|
|
F 1
|
|
1 0.1912000 1.0000000
|
|
F 1
|
|
1 0.1036000 1.0000000
|
|
G 1
|
|
1 7.3260000 1.0000000
|
|
G 1
|
|
1 2.7270000 1.0000000
|
|
G 1
|
|
1 0.4250000 1.0000000
|
|
G 1
|
|
1 0.1722000 1.0000000
|
|
H 1
|
|
1 5.1330000 1.0000000
|
|
H 1
|
|
1 0.2000000 1.0000000
|
|
|
|
MAGNESIUM
|
|
S 20
|
|
1 2968000.0000000 0.197177E-05
|
|
2 444300.0000000 0.153362E-04
|
|
3 101100.0000000 0.806852E-04
|
|
4 28640.0000000 0.340771E-03
|
|
5 9343.0000000 0.124194E-02
|
|
6 3373.0000000 0.404124E-02
|
|
7 1316.0000000 0.119797E-01
|
|
8 545.8000000 0.324253E-01
|
|
9 238.1000000 0.789332E-01
|
|
10 108.2000000 0.166575E+00
|
|
11 50.8000000 0.282871E+00
|
|
12 24.4800000 0.331890E+00
|
|
13 11.9300000 0.203287E+00
|
|
14 5.5430000 0.382897E-01
|
|
15 2.6750000 0.308916E-03
|
|
16 1.2630000 0.138907E-02
|
|
17 0.5883000 -0.136159E-03
|
|
18 0.1496000 0.855322E-04
|
|
19 0.0670000 -0.569102E-04
|
|
20 0.0295200 0.177259E-04
|
|
S 20
|
|
1 2968000.0000000 -0.498160E-06
|
|
2 444300.0000000 -0.387563E-05
|
|
3 101100.0000000 -0.203854E-04
|
|
4 28640.0000000 -0.861659E-04
|
|
5 9343.0000000 -0.314176E-03
|
|
6 3373.0000000 -0.102577E-02
|
|
7 1316.0000000 -0.305816E-02
|
|
8 545.8000000 -0.841063E-02
|
|
9 238.1000000 -0.211202E-01
|
|
10 108.2000000 -0.476882E-01
|
|
11 50.8000000 -0.924119E-01
|
|
12 24.4800000 -0.142548E+00
|
|
13 11.9300000 -0.126168E+00
|
|
14 5.5430000 0.715282E-01
|
|
15 2.6750000 0.383039E+00
|
|
16 1.2630000 0.490133E+00
|
|
17 0.5883000 0.204381E+00
|
|
18 0.1496000 0.702231E-02
|
|
19 0.0670000 -0.267874E-02
|
|
20 0.0295200 0.693690E-03
|
|
S 20
|
|
1 2968000.0000000 0.960175E-07
|
|
2 444300.0000000 0.746164E-06
|
|
3 101100.0000000 0.393119E-05
|
|
4 28640.0000000 0.165812E-04
|
|
5 9343.0000000 0.606257E-04
|
|
6 3373.0000000 0.197322E-03
|
|
7 1316.0000000 0.590881E-03
|
|
8 545.8000000 0.161904E-02
|
|
9 238.1000000 0.409756E-02
|
|
10 108.2000000 0.922989E-02
|
|
11 50.8000000 0.182168E-01
|
|
12 24.4800000 0.282884E-01
|
|
13 11.9300000 0.265059E-01
|
|
14 5.5430000 -0.172053E-01
|
|
15 2.6750000 -0.885917E-01
|
|
16 1.2630000 -0.163871E+00
|
|
17 0.5883000 -0.159506E+00
|
|
18 0.1496000 0.321715E+00
|
|
19 0.0670000 0.591373E+00
|
|
20 0.0295200 0.236866E+00
|
|
S 1
|
|
1 14.3960000 1.0000000
|
|
S 1
|
|
1 8.1290000 1.0000000
|
|
S 1
|
|
1 4.5900000 1.0000000
|
|
S 1
|
|
1 2.5920000 1.0000000
|
|
S 1
|
|
1 0.5883000 1.0000000
|
|
S 1
|
|
1 0.1496000 1.0000000
|
|
S 1
|
|
1 0.0670000 1.0000000
|
|
S 1
|
|
1 0.0295200 1.0000000
|
|
P 14
|
|
1 1441.0000000 0.152407E-03
|
|
2 341.4000000 0.132764E-02
|
|
3 110.7000000 0.721937E-02
|
|
4 41.9700000 0.285205E-01
|
|
5 17.4900000 0.865346E-01
|
|
6 7.7530000 0.194950E+00
|
|
7 3.5340000 0.312051E+00
|
|
8 1.6140000 0.348476E+00
|
|
9 0.7299000 0.218886E+00
|
|
10 0.3029000 0.435579E-01
|
|
11 0.1583000 -0.373747E-02
|
|
12 0.0819000 0.305123E-02
|
|
13 0.0412300 -0.866922E-03
|
|
14 0.0198800 0.230517E-03
|
|
P 14
|
|
1 1441.0000000 -0.241031E-04
|
|
2 341.4000000 -0.210809E-03
|
|
3 110.7000000 -0.114530E-02
|
|
4 41.9700000 -0.456417E-02
|
|
5 17.4900000 -0.139603E-01
|
|
6 7.7530000 -0.321105E-01
|
|
7 3.5340000 -0.516217E-01
|
|
8 1.6140000 -0.613713E-01
|
|
9 0.7299000 -0.442465E-01
|
|
10 0.3029000 0.523191E-01
|
|
11 0.1583000 0.221692E+00
|
|
12 0.0819000 0.395255E+00
|
|
13 0.0412300 0.364078E+00
|
|
14 0.0198800 0.977952E-01
|
|
P 1
|
|
1 67.7730000 1.0000000
|
|
P 1
|
|
1 24.8870000 1.0000000
|
|
P 1
|
|
1 9.1390000 1.0000000
|
|
P 1
|
|
1 3.3560000 1.0000000
|
|
P 1
|
|
1 0.1583000 1.0000000
|
|
P 1
|
|
1 0.0819000 1.0000000
|
|
P 1
|
|
1 0.0412300 1.0000000
|
|
P 1
|
|
1 0.0198800 1.0000000
|
|
D 1
|
|
1 24.823000 1.0000000
|
|
D 1
|
|
1 11.820000 1.0000000
|
|
D 1
|
|
1 5.6290000 1.0000000
|
|
D 1
|
|
1 2.3030000 1.0000000
|
|
D 1
|
|
1 1.1710000 1.0000000
|
|
D 1
|
|
1 0.5320000 1.0000000
|
|
D 1
|
|
1 0.2420000 1.0000000
|
|
D 1
|
|
1 0.1100000 1.0000000
|
|
F 1
|
|
1 13.0000000 1.0000000
|
|
F 1
|
|
1 5.4710000 1.0000000
|
|
F 1
|
|
1 2.3030000 1.0000000
|
|
F 1
|
|
1 0.4480000 1.0000000
|
|
F 1
|
|
1 0.2640000 1.0000000
|
|
F 1
|
|
1 0.1550000 1.0000000
|
|
G 1
|
|
1 9.3890000 1.0000000
|
|
G 1
|
|
1 3.5300000 1.0000000
|
|
G 1
|
|
1 0.4440000 1.0000000
|
|
G 1
|
|
1 0.2400000 1.0000000
|
|
H 1
|
|
1 6.7210000 1.0000000
|
|
H 1
|
|
1 0.3750000 1.0000000
|
|
|
|
ALUMINUM
|
|
S 11
|
|
1 3269000.0000000 0.0000021
|
|
2 489400.0000000 0.0000166
|
|
3 111400.0000000 0.0000875
|
|
4 31560.0000000 0.0003690
|
|
5 10320.0000000 0.0013390
|
|
6 3731.0000000 0.0043564
|
|
7 1456.0000000 0.0128955
|
|
8 604.1000000 0.0348201
|
|
9 263.5000000 0.0843530
|
|
10 119.8000000 0.1759070
|
|
11 56.3200000 0.2920910
|
|
S 11
|
|
1 3269000.0000000 -0.0000006
|
|
2 489400.0000000 -0.0000043
|
|
3 111400.0000000 -0.0000227
|
|
4 31560.0000000 -0.0000960
|
|
5 10320.0000000 -0.0003484
|
|
6 3731.0000000 -0.0011384
|
|
7 1456.0000000 -0.0033874
|
|
8 604.1000000 -0.0093151
|
|
9 263.5000000 -0.0233023
|
|
10 119.8000000 -0.0523486
|
|
11 56.3200000 -0.0999499
|
|
S 1
|
|
1 27.1900000 1.0000000
|
|
S 1
|
|
1 13.2600000 1.0000000
|
|
S 1
|
|
1 6.0520000 1.0000000
|
|
S 1
|
|
1 2.9810000 1.0000000
|
|
S 1
|
|
1 1.4760000 1.0000000
|
|
S 1
|
|
1 0.7334000 1.0000000
|
|
S 1
|
|
1 0.2447000 1.0000000
|
|
S 1
|
|
1 0.1088000 1.0000000
|
|
S 1
|
|
1 0.0467200 1.0000000
|
|
P 3
|
|
1 1461.0000000 0.0002086
|
|
2 346.2000000 0.0018101
|
|
3 112.2000000 0.0097343
|
|
P 1
|
|
1 42.5100000 1.0000000
|
|
P 1
|
|
1 17.7200000 1.0000000
|
|
P 1
|
|
1 7.8520000 1.0000000
|
|
P 1
|
|
1 3.5710000 1.0000000
|
|
P 1
|
|
1 1.6370000 1.0000000
|
|
P 1
|
|
1 0.7382000 1.0000000
|
|
P 1
|
|
1 0.2577000 1.0000000
|
|
P 1
|
|
1 0.0977300 1.0000000
|
|
P 1
|
|
1 0.0369000 1.0000000
|
|
D 1
|
|
1 30.2400000 1.0000000
|
|
D 1
|
|
1 14.2490000 1.0000000
|
|
D 1
|
|
1 6.7142000 1.0000000
|
|
D 1
|
|
1 3.1630000 1.0000000
|
|
D 1
|
|
1 1.3170000 1.0000000
|
|
D 1
|
|
1 0.5260000 1.0000000
|
|
D 1
|
|
1 0.2100000 1.0000000
|
|
D 1
|
|
1 0.0840000 1.0000000
|
|
F 1
|
|
1 15.6410000 1.0000000
|
|
F 1
|
|
1 6.5270000 1.0000000
|
|
F 1
|
|
1 2.7240000 1.0000000
|
|
F 1
|
|
1 0.5130000 1.0000000
|
|
F 1
|
|
1 0.2580000 1.0000000
|
|
F 1
|
|
1 0.1300000 1.0000000
|
|
G 1
|
|
1 11.8300000 1.0000000
|
|
G 1
|
|
1 4.5020000 1.0000000
|
|
G 1
|
|
1 0.5430000 1.0000000
|
|
G 1
|
|
1 0.2520000 1.0000000
|
|
H 1
|
|
1 8.5080000 1.0000000
|
|
H 1
|
|
1 0.4460000 1.0000000
|
|
|
|
SILICON
|
|
S 11
|
|
1 3948000.0000000 0.0000020
|
|
2 591100.0000000 0.0000158
|
|
3 134500.0000000 0.0000834
|
|
4 38120.0000000 0.0003514
|
|
5 12460.0000000 0.0012766
|
|
6 4504.0000000 0.0041519
|
|
7 1758.0000000 0.0123030
|
|
8 729.1000000 0.0333102
|
|
9 318.0000000 0.0809845
|
|
10 144.6000000 0.1702900
|
|
11 67.9700000 0.2868790
|
|
S 11
|
|
1 3948000.0000000 -0.0000005
|
|
2 591100.0000000 -0.0000042
|
|
3 134500.0000000 -0.0000222
|
|
4 38120.0000000 -0.0000936
|
|
5 12460.0000000 -0.0003401
|
|
6 4504.0000000 -0.0011106
|
|
7 1758.0000000 -0.0033088
|
|
8 729.1000000 -0.0091160
|
|
9 318.0000000 -0.0228790
|
|
10 144.6000000 -0.0517119
|
|
11 67.9700000 -0.0999091
|
|
S 1
|
|
1 32.8200000 1.0000000
|
|
S 1
|
|
1 16.0300000 1.0000000
|
|
S 1
|
|
1 7.3960000 1.0000000
|
|
S 1
|
|
1 3.6610000 1.0000000
|
|
S 1
|
|
1 1.8230000 1.0000000
|
|
S 1
|
|
1 0.9147000 1.0000000
|
|
S 1
|
|
1 0.3393000 1.0000000
|
|
S 1
|
|
1 0.1500000 1.0000000
|
|
S 1
|
|
1 0.0643800 1.0000000
|
|
P 3
|
|
1 1780.0000000 0.0002012
|
|
2 421.8000000 0.0017494
|
|
3 136.7000000 0.0094814
|
|
P 1
|
|
1 51.8100000 1.0000000
|
|
P 1
|
|
1 21.6000000 1.0000000
|
|
P 1
|
|
1 9.5630000 1.0000000
|
|
P 1
|
|
1 4.3500000 1.0000000
|
|
P 1
|
|
1 2.0060000 1.0000000
|
|
P 1
|
|
1 0.9205000 1.0000000
|
|
P 1
|
|
1 0.3500000 1.0000000
|
|
P 1
|
|
1 0.1381000 1.0000000
|
|
P 1
|
|
1 0.0533800 1.0000000
|
|
D 1
|
|
1 39.9340000 1.0000000
|
|
D 1
|
|
1 19.4830000 1.0000000
|
|
D 1
|
|
1 9.5050000 1.0000000
|
|
D 1
|
|
1 4.6380000 1.0000000
|
|
D 1
|
|
1 2.0820000 1.0000000
|
|
D 1
|
|
1 0.8170000 1.0000000
|
|
D 1
|
|
1 0.3210000 1.0000000
|
|
D 1
|
|
1 0.1260000 1.0000000
|
|
F 1
|
|
1 18.9640000 1.0000000
|
|
F 1
|
|
1 7.9560000 1.0000000
|
|
F 1
|
|
1 3.3380000 1.0000000
|
|
F 1
|
|
1 0.6880000 1.0000000
|
|
F 1
|
|
1 0.3410000 1.0000000
|
|
F 1
|
|
1 0.1690000 1.0000000
|
|
G 1
|
|
1 14.5040000 1.0000000
|
|
G 1
|
|
1 5.5810000 1.0000000
|
|
G 1
|
|
1 0.7050000 1.0000000
|
|
G 1
|
|
1 0.3200000 1.0000000
|
|
H 1
|
|
1 10.5360000 1.0000000
|
|
H 1
|
|
1 0.5830000 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 11
|
|
1 4666000.0000000 0.0000020
|
|
2 698600.0000000 0.0000153
|
|
3 159000.0000000 0.0000805
|
|
4 45040.0000000 0.0003397
|
|
5 14720.0000000 0.0012329
|
|
6 5323.0000000 0.0040135
|
|
7 2076.0000000 0.0119124
|
|
8 861.1000000 0.0322511
|
|
9 375.7000000 0.0786643
|
|
10 170.8000000 0.1664580
|
|
11 80.2900000 0.2830390
|
|
S 11
|
|
1 4666000.0000000 -0.0000005
|
|
2 698600.0000000 -0.0000042
|
|
3 159000.0000000 -0.0000218
|
|
4 45040.0000000 -0.0000923
|
|
5 14720.0000000 -0.0003351
|
|
6 5323.0000000 -0.0010951
|
|
7 2076.0000000 -0.0032680
|
|
8 861.1000000 -0.0089995
|
|
9 375.7000000 -0.0226528
|
|
10 170.8000000 -0.0514650
|
|
11 80.2900000 -0.1001860
|
|
S 1
|
|
1 38.7700000 1.0000000
|
|
S 1
|
|
1 18.9300000 1.0000000
|
|
S 1
|
|
1 8.7960000 1.0000000
|
|
S 1
|
|
1 4.3580000 1.0000000
|
|
S 1
|
|
1 2.1740000 1.0000000
|
|
S 1
|
|
1 1.0950000 1.0000000
|
|
S 1
|
|
1 0.4400000 1.0000000
|
|
S 1
|
|
1 0.1945000 1.0000000
|
|
S 1
|
|
1 0.0837600 1.0000000
|
|
P 3
|
|
1 2010.0000000 0.0002159
|
|
2 476.3000000 0.0018754
|
|
3 154.4000000 0.0101742
|
|
P 1
|
|
1 58.5100000 1.0000000
|
|
P 1
|
|
1 24.4000000 1.0000000
|
|
P 1
|
|
1 10.8000000 1.0000000
|
|
P 1
|
|
1 4.9130000 1.0000000
|
|
P 1
|
|
1 2.2690000 1.0000000
|
|
P 1
|
|
1 1.0430000 1.0000000
|
|
P 1
|
|
1 0.4313000 1.0000000
|
|
P 1
|
|
1 0.1767000 1.0000000
|
|
P 1
|
|
1 0.0700900 1.0000000
|
|
D 1
|
|
1 48.4830000 1.0000000
|
|
D 1
|
|
1 23.8780000 1.0000000
|
|
D 1
|
|
1 11.7600000 1.0000000
|
|
D 1
|
|
1 5.7920000 1.0000000
|
|
D 1
|
|
1 2.6560000 1.0000000
|
|
D 1
|
|
1 1.0540000 1.0000000
|
|
D 1
|
|
1 0.4180000 1.0000000
|
|
D 1
|
|
1 0.1660000 1.0000000
|
|
F 1
|
|
1 22.9200000 1.0000000
|
|
F 1
|
|
1 9.6830000 1.0000000
|
|
F 1
|
|
1 4.0910000 1.0000000
|
|
F 1
|
|
1 0.9230000 1.0000000
|
|
F 1
|
|
1 0.4500000 1.0000000
|
|
F 1
|
|
1 0.2190000 1.0000000
|
|
G 1
|
|
1 17.3220000 1.0000000
|
|
G 1
|
|
1 6.7170000 1.0000000
|
|
G 1
|
|
1 0.9030000 1.0000000
|
|
G 1
|
|
1 0.4120000 1.0000000
|
|
H 1
|
|
1 12.8110000 1.0000000
|
|
H 1
|
|
1 0.7450000 1.0000000
|
|
|
|
SULFUR
|
|
S 11
|
|
1 5481000.0000000 0.0000019
|
|
2 820600.0000000 0.0000147
|
|
3 186700.0000000 0.0000775
|
|
4 52880.0000000 0.0003272
|
|
5 17250.0000000 0.0011937
|
|
6 6226.0000000 0.0038839
|
|
7 2429.0000000 0.0115336
|
|
8 1007.0000000 0.0312748
|
|
9 439.5000000 0.0764387
|
|
10 199.8000000 0.1627000
|
|
11 93.9200000 0.2793280
|
|
S 11
|
|
1 5481000.0000000 -0.0000005
|
|
2 820600.0000000 -0.0000041
|
|
3 186700.0000000 -0.0000214
|
|
4 52880.0000000 -0.0000905
|
|
5 17250.0000000 -0.0003301
|
|
6 6226.0000000 -0.0010778
|
|
7 2429.0000000 -0.0032187
|
|
8 1007.0000000 -0.0088722
|
|
9 439.5000000 -0.0223771
|
|
10 199.8000000 -0.0510577
|
|
11 93.9200000 -0.1002250
|
|
S 1
|
|
1 45.3400000 1.0000000
|
|
S 1
|
|
1 22.1500000 1.0000000
|
|
S 1
|
|
1 10.3400000 1.0000000
|
|
S 1
|
|
1 5.1190000 1.0000000
|
|
S 1
|
|
1 2.5530000 1.0000000
|
|
S 1
|
|
1 1.2820000 1.0000000
|
|
S 1
|
|
1 0.5450000 1.0000000
|
|
S 1
|
|
1 0.2411000 1.0000000
|
|
S 1
|
|
1 0.1035000 1.0000000
|
|
P 3
|
|
1 2200.0000000 0.0002390
|
|
2 521.4000000 0.0020769
|
|
3 169.0000000 0.0112363
|
|
P 1
|
|
1 64.0500000 1.0000000
|
|
P 1
|
|
1 26.7200000 1.0000000
|
|
P 1
|
|
1 11.8300000 1.0000000
|
|
P 1
|
|
1 5.3780000 1.0000000
|
|
P 1
|
|
1 2.4820000 1.0000000
|
|
P 1
|
|
1 1.1160000 1.0000000
|
|
P 1
|
|
1 0.4848000 1.0000000
|
|
P 1
|
|
1 0.2006000 1.0000000
|
|
P 1
|
|
1 0.0795100 1.0000000
|
|
D 1
|
|
1 56.6940000 1.0000000
|
|
D 1
|
|
1 28.0700000 1.0000000
|
|
D 1
|
|
1 13.8980000 1.0000000
|
|
D 1
|
|
1 6.8810000 1.0000000
|
|
D 1
|
|
1 3.2030000 1.0000000
|
|
D 1
|
|
1 1.2810000 1.0000000
|
|
D 1
|
|
1 0.5120000 1.0000000
|
|
D 1
|
|
1 0.2050000 1.0000000
|
|
F 1
|
|
1 26.3820000 1.0000000
|
|
F 1
|
|
1 11.0720000 1.0000000
|
|
F 1
|
|
1 4.6470000 1.0000000
|
|
F 1
|
|
1 1.0960000 1.0000000
|
|
F 1
|
|
1 0.5290000 1.0000000
|
|
F 1
|
|
1 0.2550000 1.0000000
|
|
G 1
|
|
1 20.3460000 1.0000000
|
|
G 1
|
|
1 7.9080000 1.0000000
|
|
G 1
|
|
1 1.0710000 1.0000000
|
|
G 1
|
|
1 0.4630000 1.0000000
|
|
H 1
|
|
1 15.3060000 1.0000000
|
|
H 1
|
|
1 0.8720000 1.0000000
|
|
|
|
CHLORINE
|
|
S 11
|
|
1 6410000.0000000 0.0000018
|
|
2 959600.0000000 0.0000141
|
|
3 218300.0000000 0.0000742
|
|
4 61810.0000000 0.0003141
|
|
5 20140.0000000 0.0011464
|
|
6 7264.0000000 0.0037389
|
|
7 2832.0000000 0.0110946
|
|
8 1175.0000000 0.0301152
|
|
9 512.6000000 0.0739145
|
|
10 233.0000000 0.1582580
|
|
11 109.5000000 0.2747530
|
|
S 11
|
|
1 6410000.0000000 -0.0000005
|
|
2 959600.0000000 -0.0000040
|
|
3 218300.0000000 -0.0000208
|
|
4 61810.0000000 -0.0000881
|
|
5 20140.0000000 -0.0003217
|
|
6 7264.0000000 -0.0010528
|
|
7 2832.0000000 -0.0031418
|
|
8 1175.0000000 -0.0086636
|
|
9 512.6000000 -0.0219353
|
|
10 233.0000000 -0.0502584
|
|
11 109.5000000 -0.0995414
|
|
S 1
|
|
1 52.8600000 1.0000000
|
|
S 1
|
|
1 25.8400000 1.0000000
|
|
S 1
|
|
1 12.1700000 1.0000000
|
|
S 1
|
|
1 6.0300000 1.0000000
|
|
S 1
|
|
1 3.0120000 1.0000000
|
|
S 1
|
|
1 1.5110000 1.0000000
|
|
S 1
|
|
1 0.6604000 1.0000000
|
|
S 1
|
|
1 0.2926000 1.0000000
|
|
S 1
|
|
1 0.1254000 1.0000000
|
|
P 3
|
|
1 2548.0000000 0.0002357
|
|
2 603.7000000 0.0020516
|
|
3 195.6000000 0.0111543
|
|
P 1
|
|
1 74.1500000 1.0000000
|
|
P 1
|
|
1 30.9400000 1.0000000
|
|
P 1
|
|
1 13.6900000 1.0000000
|
|
P 1
|
|
1 6.2290000 1.0000000
|
|
P 1
|
|
1 2.8780000 1.0000000
|
|
P 1
|
|
1 1.2820000 1.0000000
|
|
P 1
|
|
1 0.5641000 1.0000000
|
|
P 1
|
|
1 0.2348000 1.0000000
|
|
P 1
|
|
1 0.0931200 1.0000000
|
|
D 1
|
|
1 65.8370000 1.0000000
|
|
D 1
|
|
1 32.6870000 1.0000000
|
|
D 1
|
|
1 16.2280000 1.0000000
|
|
D 1
|
|
1 8.0570000 1.0000000
|
|
D 1
|
|
1 3.7810000 1.0000000
|
|
D 1
|
|
1 1.5290000 1.0000000
|
|
D 1
|
|
1 0.6180000 1.0000000
|
|
D 1
|
|
1 0.2500000 1.0000000
|
|
F 1
|
|
1 30.6910000 1.0000000
|
|
F 1
|
|
1 12.8840000 1.0000000
|
|
F 1
|
|
1 5.4090000 1.0000000
|
|
F 1
|
|
1 1.3450000 1.0000000
|
|
F 1
|
|
1 0.6560000 1.0000000
|
|
F 1
|
|
1 0.3200000 1.0000000
|
|
G 1
|
|
1 23.4460000 1.0000000
|
|
G 1
|
|
1 9.1210000 1.0000000
|
|
G 1
|
|
1 1.3020000 1.0000000
|
|
G 1
|
|
1 0.5560000 1.0000000
|
|
H 1
|
|
1 18.0660000 1.0000000
|
|
H 1
|
|
1 1.0530000 1.0000000
|
|
|
|
ARGON
|
|
S 11
|
|
1 7401000.0000000 0.0000018
|
|
2 1108000.0000000 0.0000136
|
|
3 252100.0000000 0.0000716
|
|
4 71380.0000000 0.0003030
|
|
5 23260.0000000 0.0011061
|
|
6 8390.0000000 0.0036067
|
|
7 3271.0000000 0.0107132
|
|
8 1357.0000000 0.0291068
|
|
9 592.0000000 0.0716601
|
|
10 269.1000000 0.1541405
|
|
11 126.5000000 0.2704171
|
|
S 11
|
|
1 7401000.0000000 -0.0000005
|
|
2 1108000.0000000 -0.0000039
|
|
3 252100.0000000 -0.0000203
|
|
4 71380.0000000 -0.0000861
|
|
5 23260.0000000 -0.0003144
|
|
6 8390.0000000 -0.0010284
|
|
7 3271.0000000 -0.0030727
|
|
8 1357.0000000 -0.0084753
|
|
9 592.0000000 -0.0215201
|
|
10 269.1000000 -0.0494493
|
|
11 126.5000000 -0.0987759
|
|
S 1
|
|
1 61.0300000 1.0000000
|
|
S 1
|
|
1 29.8600000 1.0000000
|
|
S 1
|
|
1 14.1700000 1.0000000
|
|
S 1
|
|
1 7.0220000 1.0000000
|
|
S 1
|
|
1 3.5110000 1.0000000
|
|
S 1
|
|
1 1.7580000 1.0000000
|
|
S 1
|
|
1 0.7841000 1.0000000
|
|
S 1
|
|
1 0.3480000 1.0000000
|
|
S 1
|
|
1 0.1491000 1.0000000
|
|
P 3
|
|
1 2927.0000000 0.0002320
|
|
2 693.5000000 0.0020233
|
|
3 224.7000000 0.0110340
|
|
P 1
|
|
1 85.1700000 1.0000000
|
|
P 1
|
|
1 35.5300000 1.0000000
|
|
P 1
|
|
1 15.7300000 1.0000000
|
|
P 1
|
|
1 7.1650000 1.0000000
|
|
P 1
|
|
1 3.3220000 1.0000000
|
|
P 1
|
|
1 1.4780000 1.0000000
|
|
P 1
|
|
1 0.6552000 1.0000000
|
|
P 1
|
|
1 0.2751000 1.0000000
|
|
P 1
|
|
1 0.1097000 1.0000000
|
|
D 1
|
|
1 76.8080000 1.0000000
|
|
D 1
|
|
1 38.7370000 1.0000000
|
|
D 1
|
|
1 19.5370000 1.0000000
|
|
D 1
|
|
1 9.8530000 1.0000000
|
|
D 1
|
|
1 4.7760000 1.0000000
|
|
D 1
|
|
1 1.9170000 1.0000000
|
|
D 1
|
|
1 0.7700000 1.0000000
|
|
D 1
|
|
1 0.3090000 1.0000000
|
|
F 1
|
|
1 35.8730000 1.0000000
|
|
F 1
|
|
1 15.1400000 1.0000000
|
|
F 1
|
|
1 6.3900000 1.0000000
|
|
F 1
|
|
1 1.6680000 1.0000000
|
|
F 1
|
|
1 0.8250000 1.0000000
|
|
F 1
|
|
1 0.4080000 1.0000000
|
|
G 1
|
|
1 26.5600000 1.0000000
|
|
G 1
|
|
1 10.3060000 1.0000000
|
|
G 1
|
|
1 1.5620000 1.0000000
|
|
G 1
|
|
1 0.6650000 1.0000000
|
|
H 1
|
|
1 21.1040000 1.0000000
|
|
H 1
|
|
1 1.2640000 1.0000000
|
|
|
|
CALCIUM
|
|
S 17
|
|
1 28249600.0000000 0.00000043
|
|
2 4250190.0000000 0.00000329
|
|
3 975014.0000000 0.00001714
|
|
4 277446.0000000 0.00007228
|
|
5 90454.7000000 0.00026522
|
|
6 32515.9000000 0.00087484
|
|
7 12610.6000000 0.00264991
|
|
8 5190.7700000 0.00748447
|
|
9 2242.3300000 0.01973093
|
|
10 1011.5300000 0.04779799
|
|
11 475.5470000 0.10359562
|
|
12 232.0720000 0.19293018
|
|
13 116.8740000 0.28626757
|
|
14 60.3427000 0.29278494
|
|
15 31.5244000 0.16312798
|
|
16 16.0308000 0.03221688
|
|
17 8.4599200 0.00059258
|
|
S 17
|
|
1 28249600.0000000 -0.00000012
|
|
2 4250190.0000000 -0.00000096
|
|
3 975014.0000000 -0.00000497
|
|
4 277446.0000000 -0.00002099
|
|
5 90454.7000000 -0.00007701
|
|
6 32515.9000000 -0.00025431
|
|
7 12610.6000000 -0.00077168
|
|
8 5190.7700000 -0.00219083
|
|
9 2242.3300000 -0.00583567
|
|
10 1011.5300000 -0.01446869
|
|
11 475.5470000 -0.03280384
|
|
12 232.0720000 -0.06674435
|
|
13 116.8740000 -0.11668667
|
|
14 60.3427000 -0.15919701
|
|
15 31.5244000 -0.11620650
|
|
16 16.0308000 0.10547012
|
|
17 8.4599200 0.42483472
|
|
S 17
|
|
1 28249600.0000000 0.00000004
|
|
2 4250190.0000000 0.00000033
|
|
3 975014.0000000 0.00000172
|
|
4 277446.0000000 0.00000724
|
|
5 90454.7000000 0.00002656
|
|
6 32515.9000000 0.00008772
|
|
7 12610.6000000 0.00026618
|
|
8 5190.7700000 0.00075622
|
|
9 2242.3300000 0.00201618
|
|
10 1011.5300000 0.00501203
|
|
11 475.5470000 0.01141485
|
|
12 232.0720000 0.02345426
|
|
13 116.8740000 0.04173784
|
|
14 60.3427000 0.05894305
|
|
15 31.5244000 0.04503419
|
|
16 16.0308000 -0.04437618
|
|
17 8.4599200 -0.21875449
|
|
S 1
|
|
1 4.5271800 1.0000000
|
|
S 1
|
|
1 2.4185900 1.0000000
|
|
S 1
|
|
1 1.2512900 1.0000000
|
|
S 1
|
|
1 0.6434300 1.0000000
|
|
S 1
|
|
1 0.3291800 1.0000000
|
|
S 1
|
|
1 0.1423900 1.0000000
|
|
S 1
|
|
1 0.0781900 1.0000000
|
|
S 1
|
|
1 0.0376300 1.0000000
|
|
S 1
|
|
1 0.0182900 1.0000000
|
|
P 10
|
|
1 406353.0000000 0.00000023
|
|
2 13600.7000000 0.00002393
|
|
3 3235.4700000 0.00021218
|
|
4 1053.0500000 0.00122733
|
|
5 403.5690000 0.00545277
|
|
6 171.4900000 0.01962669
|
|
7 78.2363000 0.05827993
|
|
8 37.6065000 0.13955299
|
|
9 18.7090000 0.25592562
|
|
10 9.5004100 0.33998132
|
|
P 10
|
|
1 406353.0000000 -0.00000007
|
|
2 13600.7000000 -0.00000779
|
|
3 3235.4700000 -0.00006908
|
|
4 1053.0500000 -0.00040059
|
|
5 403.5690000 -0.00178490
|
|
6 171.4900000 -0.00648320
|
|
7 78.2363000 -0.01956244
|
|
8 37.6065000 -0.04824767
|
|
9 18.7090000 -0.09128611
|
|
10 9.5004100 -0.12842086
|
|
P 1
|
|
1 4.9055700 1.0000000
|
|
P 1
|
|
1 2.5267000 1.0000000
|
|
P 1
|
|
1 1.2713900 1.0000000
|
|
P 1
|
|
1 0.6260100 1.0000000
|
|
P 1
|
|
1 0.3009900 1.0000000
|
|
P 1
|
|
1 0.1176900 1.0000000
|
|
P 1
|
|
1 0.0511600 1.0000000
|
|
P 1
|
|
1 0.0214200 1.0000000
|
|
D 8
|
|
1 39.5628000 0.00344600
|
|
2 11.4373000 0.02136000
|
|
3 3.9674300 0.07544800
|
|
4 1.5247800 0.17152800
|
|
5 0.5904700 0.26061900
|
|
6 0.2191400 0.33474500
|
|
7 0.0795700 0.37814300
|
|
8 0.0283400 0.21650400
|
|
D 1
|
|
1 0.5904700 1.0000000
|
|
D 1
|
|
1 0.2191400 1.0000000
|
|
D 1
|
|
1 0.0795700 1.0000000
|
|
D 1
|
|
1 0.0283400 1.0000000
|
|
F 1
|
|
1 0.7741000 1.0000000
|
|
F 1
|
|
1 0.2580000 1.0000000
|
|
F 1
|
|
1 0.0860000 1.0000000
|
|
G 1
|
|
1 0.3023000 1.0000000
|
|
G 1
|
|
1 0.1012000 1.0000000
|
|
H 1
|
|
1 0.2534000 1.0000000
|
|
$END |