QUESTDB_website/static/data/structures/QUEST2/pyrazine.xyz

10
Pyrazine,^1A_g,CC3,aug-cc-pVTZ
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
C    0.69592552    1.12814594    0.00000000
C    0.69592552   -1.12814594    0.00000000
H   -1.24480592    2.05718388    0.00000000
H   -1.24480592   -2.05718388    0.00000000
H    1.24480592    2.05718388    0.00000000
H    1.24480592   -2.05718388    0.00000000
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`10`
Fix ,, in xyz 2020-10-27 17:08:25 +01:00			`Pyrazine,^1A_g,CC3,aug-cc-pVTZ`
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`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`
			`C 0.69592552 1.12814594 0.00000000`
			`C 0.69592552 -1.12814594 0.00000000`
			`H -1.24480592 2.05718388 0.00000000`
			`H -1.24480592 -2.05718388 0.00000000`
			`H 1.24480592 2.05718388 0.00000000`
			`H 1.24480592 -2.05718388 0.00000000`