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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/hia frq_Hbsh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-1222.21655846; Eh
6-Apr-2023	/adducts frq_optTS_bph3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum; Single point Minimum	DFT	def2-TZVP	-3970.45131282; -3970.45131305; Eh; Eh
6-Apr-2023	/electrochem frq_opt_bOTf3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6170.87009713; Eh
6-Apr-2023	/electrochem frq_opt_bi3_re_2_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVP	-4178.53798498; Eh
6-Apr-2023	/adducts frq_opt_bch3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3395.04436055; Eh
6-Apr-2023	/fia frq_Fbph3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-820.12783285; Eh
6-Apr-2023	/hia frq_Hbbr3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-7749.01748489; Eh
6-Apr-2023	/fia bph3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-720.06127549; Eh
6-Apr-2023	/fia bcl3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-1405.75515696; Eh
6-Apr-2023	/transeff frq_opt_I_bPh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3818.06508851; Eh

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