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

10
Pyrimidine,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000            1.27806007
C    0.00000000            0.00000000           -1.37803506
C    0.00000000            1.18150751           -0.65019687
C    0.00000000           -1.18150751           -0.65019687
N    0.00000000            1.19707397            0.68591814
N    0.00000000           -1.19707397            0.68591814
H    0.00000000            0.00000000            2.35896752
H    0.00000000            0.00000000           -2.45602226
H    0.00000000            2.14395798           -1.14488415
H    0.00000000           -2.14395798           -1.14488415
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			`Pyrimidine,^1A_1,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 0.00000000 1.27806007`
Fix alignment in pyrimidine.xyz 2020-10-27 17:14:16 +01:00			`C 0.00000000 0.00000000 -1.37803506`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 1.18150751 -0.65019687`
			`C 0.00000000 -1.18150751 -0.65019687`
			`N 0.00000000 1.19707397 0.68591814`
			`N 0.00000000 -1.19707397 0.68591814`
			`H 0.00000000 0.00000000 2.35896752`
			`H 0.00000000 0.00000000 -2.45602226`
			`H 0.00000000 2.14395798 -1.14488415`
			`H 0.00000000 -2.14395798 -1.14488415`