PTEROSOR/QuAcK
10
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-11-04 21:23:55 +01:00
Code Releases Activity

clean up

Browse Source
This commit is contained in:
Pierre-Francois Loos 2020-10-06 14:28:52 +02:00
parent 27663d2146
commit e203b3c711
3 changed files with 146 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

105
basis/aug-mcc-pv8z Normal file
View File

@ -0,0 +1,105 @@
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
S 1
1 0.0137700 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
P 1
1 0.0528300 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
D 1
1 0.1044300 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
F 1
1 0.2108200 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
G 1
1 0.2933900 1.0000000
H 1
1 5.9887600 1.0000000
H 1
1 2.9543500 1.0000000
H 1
1 1.4574300 1.0000000
H 1
1 0.4894600 1.0000000
I 1
1 4.0598700 1.0000000
I 1
1 1.6950300 1.0000000
I 1
1 0.6178700 1.0000000
J 1
1 4.1600000 1.0000000
J 1
1 1.0170000 1.0000000

41
basis/sadlej+ Normal file
View File

@ -0,0 +1,41 @@
NITROGEN
S 5
1 8104.0716 .000802
2 1216.0215 .006174
3 277.23428 .031233
4 76.904023 .115198
5 25.874419 .296951
S 2
1 9.346767 .447349
2 3.579794 .245003
S 1
1 0.739610 1.
S 1
1 0.222617 1.
S 1
1 0.067006 1.
S 1
1 0.0202000 1.0000000
S 1
1 0.0060800 1.0000000
P 4
1 26.868987 .014478
2 5.991227 .091156
3 1.750842 .297420
4 0.560511 .493796
P 1
1 0.175948 1.
P 1
1 0.055231 1.
P 1
1 0.0173000 1.0000000
D 2
1 1.750842 .224774
2 0.560511 .659562
D 2
1 0.175948 .871355
2 0.055231 .704217
D 1
1 0.0173000 1.0000000

1
int/.gitignore vendored
View File

@ -1 +0,0 @@
*.dat