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QuantumPackage/data/basis/cc-pv8z

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2020-02-04 19:04:36 +01:00
!----------------------------------------------------------------------
! Basis Set Exchange
! Version 2.1.0+44.g1191679.dirty
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: cc-pV8Z
! Description: cc-pV8Z
! Role: orbital
! Version: 0 (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------
$DATA
HYDROGEN
S 15
1 13940.8000000 0.00000301
2 3471.4300000 0.00000544
3 1903.1800000 0.00001785
4 623.2860000 0.00007195
5 290.3600000 0.00012055
6 126.5850000 0.00052527
7 44.6955000 0.00201384
8 16.0038000 0.00687086
9 6.0805600 0.02095415
10 2.4762200 0.05614039
11 1.0757100 0.13038113
12 0.4896820 0.25186989
13 0.2297860 0.35225121
14 0.1099655 0.26587036
15 0.0523230 0.05787678
S 1
1 6.0805600 1.0000000
S 1
1 2.4762200 1.0000000
S 1
1 1.0757100 1.0000000
S 1
1 0.4896820 1.0000000
S 1
1 0.2297860 1.0000000
S 1
1 0.1099655 1.0000000
S 1
1 0.0523230 1.0000000
P 1
1 17.3691000 1.0000000
P 1
1 7.9252700 1.0000000
P 1
1 3.6161900 1.0000000
P 1
1 1.6500200 1.0000000
P 1
1 0.7528800 1.0000000
P 1
1 0.3435300 1.0000000
P 1
1 0.1567500 1.0000000
D 1
1 8.7070200 1.0000000
D 1
1 4.4505600 1.0000000
D 1
1 2.2748800 1.0000000
D 1
1 1.1628000 1.0000000
D 1
1 0.5943600 1.0000000
D 1
1 0.3038000 1.0000000
F 1
1 10.6097000 1.0000000
F 1
1 5.2422900 1.0000000
F 1
1 2.5902400 1.0000000
F 1
1 1.2798500 1.0000000
F 1
1 0.6323800 1.0000000
G 1
1 5.8235900 1.0000000
G 1
1 3.0535100 1.0000000
G 1
1 1.6010500 1.0000000
G 1
1 0.8394900 1.0000000
H 1
1 5.9887600 1.0000000
H 1
1 2.9543500 1.0000000
H 1
1 1.4574300 1.0000000
I 1
1 5.9887600 1.0000000
I 1
1 1.6950300 1.0000000
J 1
1 4.1600000 1.0000000
NEON
S 20
1 7741600.0000000 0.00000037
2 1199700.0000000 0.00000275
3 279049.0000000 0.00001409
4 80647.0000000 0.00005802
5 26764.9000000 0.00020791
6 9774.0400000 0.00067380
7 3844.0400000 0.00200469
8 1606.5300000 0.00555536
9 703.3980000 0.01455391
10 318.6440000 0.03600119
11 148.2690000 0.08216342
12 70.6164000 0.16533764
13 34.3637000 0.27216031
14 17.0553000 0.31898287
15 8.5559700 0.20602037
16 4.2083200 0.04698434
17 2.0514000 0.00215565
18 0.9727960 0.00129875
19 0.4557530 0.00010780
20 0.2074050 0.00008303
S 20
1 7741600.0000000 -0.00000009
2 1199700.0000000 -0.00000065
3 279049.0000000 -0.00000331
4 80647.0000000 -0.00001362
5 26764.9000000 -0.00004885
6 9774.0400000 -0.00015836
7 3844.0400000 -0.00047203
8 1606.5300000 -0.00131201
9 703.3980000 -0.00346487
10 318.6440000 -0.00870414
11 148.2690000 -0.02053558
12 70.6164000 -0.04403733
13 34.3637000 -0.08245730
14 17.0553000 -0.12474347
15 8.5559700 -0.11934839
16 4.2083200 0.02665646
17 2.0514000 0.28899046
18 0.9727960 0.44795215
19 0.4557530 0.32007201
20 0.2074050 0.06663428
S 1
1 17.0553000 1.0000000
S 1
1 8.5559700 1.0000000
S 1
1 4.2083200 1.0000000
S 1
1 2.0514000 1.0000000
S 1
1 0.9727960 1.0000000
S 1
1 0.4557530 1.0000000
S 1
1 0.2074050 1.0000000
P 14
1 5865.3500000 0.00000605
2 1338.2600000 0.00005711
3 429.4940000 0.00033617
4 164.3140000 0.00150898
5 70.0782000 0.00551808
6 32.0242000 0.01705910
7 15.2906000 0.04560384
8 7.5357100 0.10301383
9 3.7861900 0.18536807
10 1.9079700 0.25916104
11 0.9527700 0.28344532
12 0.4698040 0.23355206
13 0.2285450 0.11940731
14 0.1075330 0.02176175
P 1
1 7.5357100 1.0000000
P 1
1 3.7861900 1.0000000
P 1
1 1.9079700 1.0000000
P 1
1 0.9527700 1.0000000
P 1
1 0.4698040 1.0000000
P 1
1 0.2285450 1.0000000
P 1
1 0.1075330 1.0000000
D 1
1 24.0372000 1.0000000
D 1
1 12.1858000 1.0000000
D 1
1 6.1777000 1.0000000
D 1
1 3.1318000 1.0000000
D 1
1 1.5876800 1.0000000
D 1
1 0.8048800 1.0000000
D 1
1 0.4080400 1.0000000
F 1
1 14.9656000 1.0000000
F 1
1 7.9562600 1.0000000
F 1
1 4.2298500 1.0000000
F 1
1 2.2487500 1.0000000
F 1
1 1.1955200 1.0000000
F 1
1 0.6355900 1.0000000
G 1
1 16.8025000 1.0000000
G 1
1 8.4815000 1.0000000
G 1
1 4.2812500 1.0000000
G 1
1 2.1610600 1.0000000
G 1
1 1.0908500 1.0000000
H 1
1 10.8774000 1.0000000
H 1
1 5.5708900 1.0000000
H 1
1 2.8531500 1.0000000
H 1
1 1.4612500 1.0000000
I 1
1 11.1420000 1.0000000
I 1
1 5.1819900 1.0000000
I 1
1 2.4100700 1.0000000
J 1
1 9.2945400 1.0000000
J 1
1 3.9239400 1.0000000
K 1
1 5.7880000 1.0000000
$END
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