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

Fix ,, in xyz

This commit is contained in:
Mickaël Véril 2020-10-27 17:08:25 +01:00
parent 6f2e635e26
commit e0a4d09cea
2 changed files with 2 additions and 2 deletions

View File

@ -1,5 +1,5 @@
10
Pyrazine,^1A_g,,CC3,aug-cc-pVTZ
Pyrazine,^1A_g,CC3,aug-cc-pVTZ
N -1.41089287 0.00000000 0.00000000
N 1.41089287 0.00000000 0.00000000
C -0.69592552 1.12814594 0.00000000

View File

@ -1,5 +1,5 @@
3
\ce{CON},,CC3,aug-cc-pVTZ
\ce{CON},CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -1.29152344
O 0.00000000 0.00000000 -0.10824635
N 0.00000000 0.00000000 1.23042072