QUESTDB_website/static/data/structures/QUEST3/pyridazine.xyz

10
Pyridazine,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.68872866           -1.22532499
C    0.00000000           -0.68872866           -1.22532499
C    0.00000000            1.31909012            0.01859220
C    0.00000000           -1.31909012            0.01859220
N    0.00000000            0.66797114            1.18061915
N    0.00000000           -0.66797114            1.18061915
H    0.00000000            2.39613649            0.10212978
H    0.00000000           -2.39613649            0.10212978
H    0.00000000            1.26479437           -2.13770502
H    0.00000000           -1.26479437           -2.13770502
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`10`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Pyridazine,^1A_1,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 0.68872866 -1.22532499`
			`C 0.00000000 -0.68872866 -1.22532499`
			`C 0.00000000 1.31909012 0.01859220`
			`C 0.00000000 -1.31909012 0.01859220`
			`N 0.00000000 0.66797114 1.18061915`
			`N 0.00000000 -0.66797114 1.18061915`
			`H 0.00000000 2.39613649 0.10212978`
			`H 0.00000000 -2.39613649 0.10212978`
			`H 0.00000000 1.26479437 -2.13770502`
			`H 0.00000000 -1.26479437 -2.13770502`