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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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	/adducts frq_optTS_bph3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3969.34594195; Eh
6-Apr-2023	/adducts frq_opt_bch3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVP	-3405.07860720; Eh
6-Apr-2023	/fia frq_bnc6f53	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4557.96623327; Eh
6-Apr-2023	/fia Fboh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-352.65875472; Eh
6-Apr-2023	/fia frq_bbr3	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-7748.25296179; Eh
6-Apr-2023	/hia Hbi3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-918.88515885; Eh
6-Apr-2023	/fia bch33	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-144.64497051; Eh
6-Apr-2023	/fia bi3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-918.25247288; Eh
6-Apr-2023	/electrochem frq_opt_bc2f53_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5012.37911308; Eh

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