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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/fia bph3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-720.06127549; Eh
6-Apr-2023	/fia bf3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-324.47073568; Eh
6-Apr-2023	/electrochem frq_opt_uks_bi3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4178.95481033; Eh
6-Apr-2023	/electrochem frq_opt_uks_bh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3287.08158459; Eh
6-Apr-2023	/electrochem frq_opt_uks_bch3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVP	-3405.07865248; Eh
6-Apr-2023	/electrochem frq_opt_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3260.43161406; Eh
6-Apr-2023	/electrochem frq_opt_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3260.26632026; Eh
6-Apr-2023	/electrochem frq_opt_re_2_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3260.06379503; Eh
6-Apr-2023	/fia Hbc2f5_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-1752.70346534; Eh
6-Apr-2023	/fia bc6f5	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-2207.95223455; Eh

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