4
1
mirror of https://github.com/pfloos/quack synced 2024-11-09 07:33:55 +01:00
quack/basis/aug-cc-pv_6+d_z
2020-01-17 13:57:03 +01:00

836 lines
30 KiB
Plaintext

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
S 1
1 0.0173700 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
P 1
1 0.0102100 1.0000000
D 1
1 4.2400000 1.0000000
D 1
1 0.8500000 1.0000000
D 1
1 0.7490000 1.0000000
D 1
1 0.3500000 1.0000000
D 1
1 0.1560000 1.0000000
D 1
1 0.0661000 1.0000000
D 1
1 0.0237000 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
F 1
1 0.0462500 1.0000000
G 1
1 0.6952000 1.0000000
G 1
1 0.3771000 1.0000000
G 1
1 0.2046000 1.0000000
G 1
1 0.0854500 1.0000000
H 1
1 0.6560000 1.0000000
H 1
1 0.3300000 1.0000000
H 1
1 0.1655000 1.0000000
I 1
1 0.5302000 1.0000000
I 1
1 0.2990000 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
S 1
1 0.0253900 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
P 1
1 0.0169400 1.0000000
D 1
1 6.8250000 1.0000000
D 1
1 1.7630000 1.0000000
D 1
1 0.8350000 1.0000000
D 1
1 0.5070000 1.0000000
D 1
1 0.2320000 1.0000000
D 1
1 0.0977000 1.0000000
D 1
1 0.0370000 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
F 1
1 0.0688400 1.0000000
G 1
1 0.8528000 1.0000000
G 1
1 0.4631000 1.0000000
G 1
1 0.2515000 1.0000000
G 1
1 0.1164000 1.0000000
H 1
1 0.8557000 1.0000000
H 1
1 0.4231000 1.0000000
H 1
1 0.2351000 1.0000000
I 1
1 0.6946000 1.0000000
I 1
1 0.4271000 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
S 1
1 0.0322800 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
P 1
1 0.0219700 1.0000000
D 1
1 9.4730000 1.0000000
D 1
1 2.4820000 1.0000000
D 1
1 1.0880000 1.0000000
D 1
1 0.6920000 1.0000000
D 1
1 0.3190000 1.0000000
D 1
1 0.1340000 1.0000000
D 1
1 0.0507000 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
F 1
1 0.0871000 1.0000000
G 1
1 1.0616000 1.0000000
G 1
1 0.5791000 1.0000000
G 1
1 0.3159000 1.0000000
G 1
1 0.1470000 1.0000000
H 1
1 1.0850000 1.0000000
H 1
1 0.5277000 1.0000000
H 1
1 0.2874000 1.0000000
I 1
1 0.8890000 1.0000000
I 1
1 0.5151000 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
S 1
1 0.0389300 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
P 1
1 0.0264800 1.0000000
D 1
1 11.5330000 1.0000000
D 1
1 2.9880000 1.0000000
D 1
1 1.2590000 1.0000000
D 1
1 0.8040000 1.0000000
D 1
1 0.3800000 1.0000000
D 1
1 0.1600000 1.0000000
D 1
1 0.0609000 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
F 1
1 0.1100000 1.0000000
G 1
1 1.3473000 1.0000000
G 1
1 0.7009000 1.0000000
G 1
1 0.3647000 1.0000000
G 1
1 0.1799000 1.0000000
H 1
1 1.2861000 1.0000000
H 1
1 0.6115000 1.0000000
H 1
1 0.3465000 1.0000000
I 1
1 1.0409000 1.0000000
I 1
1 0.6222000 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
S 1
1 0.0462500 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
P 1
1 0.0316300 1.0000000
D 1
1 14.7720000 1.0000000
D 1
1 3.8200000 1.0000000
D 1
1 1.5830000 1.0000000
D 1
1 1.0360000 1.0000000
D 1
1 0.4880000 1.0000000
D 1
1 0.2030000 1.0000000
D 1
1 0.0775000 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
F 1
1 0.1465000 1.0000000
G 1
1 1.5388000 1.0000000
G 1
1 0.8050000 1.0000000
G 1
1 0.4212000 1.0000000
G 1
1 0.2177000 1.0000000
H 1
1 1.5613000 1.0000000
H 1
1 0.7397000 1.0000000
H 1
1 0.4365000 1.0000000
I 1
1 1.2572000 1.0000000
I 1
1 0.8074000 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
S 1
1 0.0535700 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
P 1
1 0.0367800 1.0000000
D 1
1 17.7430000 1.0000000
D 1
1 4.5800000 1.0000000
D 1
1 1.8890000 1.0000000
D 1
1 1.2520000 1.0000000
D 1
1 0.5940000 1.0000000
D 1
1 0.2470000 1.0000000
D 1
1 0.0898000 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
F 1
1 0.1830000 1.0000000
G 1
1 1.8450000 1.0000000
G 1
1 0.9657000 1.0000000
G 1
1 0.5055000 1.0000000
G 1
1 0.2555000 1.0000000
H 1
1 1.8743000 1.0000000
H 1
1 0.8871000 1.0000000
H 1
1 0.5265000 1.0000000
I 1
1 1.5066000 1.0000000
I 1
1 0.9926000 1.0000000