QUESTDB_website/static/data/structures/QUEST1/acetaldehyde.xyz

7
Acetaldehyde,^1A^\prime,CC3,aug-cc-pVTZ
C   -0.00124094            0.00000000            0.46104598
C   -0.93054640            0.00000000           -0.71424991
O    1.20624568            0.00000000            0.38083840
H   -0.49162964            0.00000000            1.44957198
H   -1.57671241            0.87868017           -0.66257994
H   -1.57671241           -0.87868017           -0.66257994
H   -0.37065389            0.00000000           -1.64609256
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`7`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Acetaldehyde,^1A^\prime,CC3,aug-cc-pVTZ`
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`C -0.00124094 0.00000000 0.46104598`
			`C -0.93054640 0.00000000 -0.71424991`
			`O 1.20624568 0.00000000 0.38083840`
			`H -0.49162964 0.00000000 1.44957198`
			`H -1.57671241 0.87868017 -0.66257994`
			`H -1.57671241 -0.87868017 -0.66257994`
			`H -0.37065389 0.00000000 -1.64609256`