mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 06:43:43 +01:00
205 lines
6.2 KiB
Plaintext
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
|
|
|
|
|