PTEROSOR/QUESTDB_website
10
0
Fork 0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 05:43:46 +01:00
Code Releases Activity

Fix TBE water

Browse Source
This commit is contained in:
Mickaël Véril 2020-09-21 11:00:57 +02:00
parent 882c05b0e4
commit 8e109f6000
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
static/data/abs/water_TBE(Full)_CBS.dat
View File

@ -1,7 +1,7 @@
# Molecule : Water
# Comment :
# code :
# method : TBE
# method : TBE(Full),CBS
# geom : CC3,aug-cc-pVTZ
# set : QUEST#1,0