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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2023	ni_picyne_4_int_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-4886.87405179; Eh
	30-Jan-2023	ni_picyne_2_int_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-3197.53157861; Eh
	30-Jan-2023	ni_picyne_2_int_2_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-3197.51700912; Eh
	30-Jan-2023	ni_picyne_4_int_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-4890.6188944; Eh
	30-Jan-2023	ni_picyne_2_ts_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-3197.50854914; Eh
	30-Jan-2023	ni_picyne_4_ts_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-4886.86640362; Eh
	30-Jan-2023	ni_picyne_2_int_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-3199.5291489; Eh
	30-Jan-2023	ni_picyne_2_int_2_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-3199.514435; Eh
	30-Jan-2023	ni_picyne_2_ts_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-3199.5084635; Eh
	30-Jan-2023	ni_picyne_3_int_1_c2_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-4042.20904422; Eh

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