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

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Add geometries for QUEST#2 (without comments)
2020-08-28 14:09:43 +02:00
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Add metadatas for QUEST#2 geometries
2020-08-28 15:04:40 +02:00
^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
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