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9cdb57208f
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Author SHA1 Message Date
Mickaël Véril
9cdb57208f
Fix dimethylaniline.xyz geometry 
Geometries must be in Angstrom. Thanks to Christof Holzer for pointing out this error!
 2022-05-27 13:52:42 +02:00
Mickaël Véril
331bf4280e Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00