Mickaël Véril 8b3333a9d3 Update outputs		2020-11-30 09:58:00 +01:00
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cc-pvdz	Update outputs	2020-11-30 09:58:00 +01:00
cc-pvtz	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00