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

9
Imidazole,^1A^\prime,CC3,aug-cc-pVTZ
C    0.22047002            1.09013818            0.00000000
C   -0.80762172           -0.85908302            0.00000000  
C    0.55119348           -1.02135132            0.00000000
N   -1.00726640            0.50226832            0.00000000
N    1.18649703            0.20152884            0.00000000  
H    0.34661972            2.15771096            0.00000000 
H   -1.89181141            0.97423200            0.00000000  
H   -1.62120791           -1.55873998            0.00000000 
H    1.10425494           -1.94208619            0.00000000
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`9`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Imidazole,^1A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.22047002 1.09013818 0.00000000`
			`C -0.80762172 -0.85908302 0.00000000`
			`C 0.55119348 -1.02135132 0.00000000`
			`N -1.00726640 0.50226832 0.00000000`
			`N 1.18649703 0.20152884 0.00000000`
			`H 0.34661972 2.15771096 0.00000000`
			`H -1.89181141 0.97423200 0.00000000`
			`H -1.62120791 -1.55873998 0.00000000`
			`H 1.10425494 -1.94208619 0.00000000`