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

4
Cyanogen,^1\Sigma_g^+,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000            0.69005726
C    0.00000000            0.00000000           -0.69005726
N    0.00000000            0.00000000            1.85097785
N    0.00000000            0.00000000           -1.85097785

4
Cyanogen,^1\Sigma_g^+,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000            0.64974555
C    0.00000000            0.00000000           -0.64974555
N    0.00000000            0.00000000            1.88631863
N    0.00000000            0.00000000           -1.88631863
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`4`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Cyanogen,^1\Sigma_g^+,CC3,aug-cc-pVTZ`
Fix cyanogen.xyz GS 2020-09-27 13:44:01 +02:00			`C 0.00000000 0.00000000 0.69005726`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 0.00000000 -0.69005726`
			`N 0.00000000 0.00000000 1.85097785`
			`N 0.00000000 0.00000000 -1.85097785`

			`4`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Cyanogen,^1\Sigma_g^+,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 0.00000000 0.64974555`
			`C 0.00000000 0.00000000 -0.64974555`
			`N 0.00000000 0.00000000 1.88631863`
			`N 0.00000000 0.00000000 -1.88631863`