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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/electrochem frq_opt_bPh3_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3980.30197918; Eh
6-Apr-2023	/electrochem frq_opt_bcl3_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4666.02170805; Eh
6-Apr-2023	/fia frq_bc2f5	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-1751.89099299; Eh
6-Apr-2023	/fia Fbph3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-820.00330587; Eh
6-Apr-2023	/hia Hbsh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-1221.40695911; Eh
6-Apr-2023	/hia Hbbr3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-7748.86353594; Eh
6-Apr-2023	/adducts frq_optTS_bc2f53_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5001.26252369; Eh
6-Apr-2023	/adducts frq_opt_bnc6f53_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-7807.16430337; Eh
6-Apr-2023	/adducts frq_optTS_bph3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3980.48102064; Eh
6-Apr-2023	/adducts frq_opt_bi3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4167.84715768; Eh

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