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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/fia bc2f5	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-1751.87033840; Eh
6-Apr-2023	/fia bbr3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-7748.21257639; Eh
6-Apr-2023	/electrochem frq_opt_phosphirene_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3720.22617765; Eh
6-Apr-2023	/electrochem frq_opt_phosphirene_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3720.05890317; Eh
6-Apr-2023	/electrochem frq_opt_bPh3_re_2_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3980.08728130; Eh
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_bOTf3_re_2_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6170.43746669; Eh
6-Apr-2023	/electrochem frq_opt_bOTf3_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6170.66677183; Eh
6-Apr-2023	/electrochem frq_opt_bc2f53_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5012.18590689; Eh
6-Apr-2023	/electrochem frq_opt_bc2f53_re_2_3	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5011.95541149; Eh

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