mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-25 13:53:48 +01:00
Fix ,, in xyz
This commit is contained in:
parent
6f2e635e26
commit
e0a4d09cea
@ -1,5 +1,5 @@
|
|||||||
10
|
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
|
||||||
N 1.41089287 0.00000000 0.00000000
|
N 1.41089287 0.00000000 0.00000000
|
||||||
C -0.69592552 1.12814594 0.00000000
|
C -0.69592552 1.12814594 0.00000000
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
3
|
3
|
||||||
\ce{CON},,CC3,aug-cc-pVTZ
|
\ce{CON},CC3,aug-cc-pVTZ
|
||||||
C 0.00000000 0.00000000 -1.29152344
|
C 0.00000000 0.00000000 -1.29152344
|
||||||
O 0.00000000 0.00000000 -0.10824635
|
O 0.00000000 0.00000000 -0.10824635
|
||||||
N 0.00000000 0.00000000 1.23042072
|
N 0.00000000 0.00000000 1.23042072
|
Loading…
Reference in New Issue
Block a user