Mickaël Véril ae7c648603 Fix imidazole ang		2020-11-20 09:47:54 +01:00
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cc-pvdz	Fix imidazole ang	2020-11-20 09:47:54 +01:00
cc-pvtz	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00