LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
Code Issues Releases Wiki Activity

Now good basis file

Browse Source
This commit is contained in:
Thomas Applencourt 2014-10-24 10:57:57 +02:00
parent 7613956051
commit 7f482ca95c
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
data/basis/cc-pvdz
View File

@ -318,7 +318,7 @@ P 1
D 1
1 0.0973000 1.0000000
Mn
Mg
S 11
1 47390.0000000 0.346023D-03
2 7108.0000000 0.268077D-02
@ -1604,7 +1604,7 @@ F 2
1 2.221100E+00 4.235450E-01
2 5.231000E-01 7.741140E-01
Mg
Mn
S 19
1 3.960805E+06 8.242127E-06
2 5.931155E+05 6.408587E-05