10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 12:55:37 +01:00
QuantumPackage/data/basis/cc-pv8z
2019-01-25 11:39:31 +01:00

205 lines
6.2 KiB
Plaintext

HYDROGEN
S 8
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
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
K 1
1 4.1600000 1.0000000
NEON
S 13
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
S 13
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
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 7
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
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
K 1
1 9.2945400 1.0000000
K 1
1 3.9239400 1.0000000
L 1
1 5.7880000 1.0000000