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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/fia Fbcl3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-1505.73519313; Eh
6-Apr-2023	/fia bbr3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-7748.21257639; Eh
6-Apr-2023	/transeff frq_opt_F_bOTf3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5800.48092601; Eh
6-Apr-2023	/electrochem frq_opt_bPh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3980.48104651; Eh
6-Apr-2023	/electrochem frq_opt_bh3_re_-1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3287.14135111; Eh
6-Apr-2023	/adducts frq_opt_bsh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4481.92537770; Eh
6-Apr-2023	/adducts frq_opt_bbr3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-10997.60983711; Eh
6-Apr-2023	/hia frq_HbEt3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-263.30000440; Eh
6-Apr-2023	/hia frq_Hbch33_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-145.34556887; Eh
6-Apr-2023	/hia frq_Hboh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-253.28768160; Eh

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