mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-27 06:43:47 +01:00
18 lines
992 B
Plaintext
18 lines
992 B
Plaintext
16
|
|
Phthalazine,^1A_1,CC3,cc-pVTZ
|
|
C 0.00000000 0.70094519 -0.03774450
|
|
C 0.00000000 -0.70094519 -0.03774450
|
|
C 0.00000000 1.40489400 -1.25781726
|
|
C 0.00000000 -1.40489400 -1.25781726
|
|
C 0.00000000 0.70650722 -2.44237044
|
|
C 0.00000000 -0.70650722 -2.44237044
|
|
C 0.00000000 1.32191744 1.23728687
|
|
C 0.00000000 -1.32191744 1.23728687
|
|
N 0.00000000 0.68568306 2.38220076
|
|
N 0.00000000 -0.68568306 2.38220076
|
|
H 0.00000000 2.48400773 -1.25016518
|
|
H 0.00000000 -2.48400773 -1.25016518
|
|
H 0.00000000 1.23583294 -3.38115273
|
|
H 0.00000000 -1.23583294 -3.38115273
|
|
H 0.00000000 2.40174044 1.30694165
|
|
H 0.00000000 -2.40174044 1.30694165 |