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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/hia HbEt3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-263.23735173; Eh
6-Apr-2023	/hia Hbh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-27.19716089; Eh
6-Apr-2023	/fia Fbf3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-424.62696969; Eh
6-Apr-2023	/adducts frq_optTS_bOTf3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVP	-6170.87023227; Eh
6-Apr-2023	/transeff frq_opt_Br_bcl3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6780.38876150; Eh
6-Apr-2023	/adducts frq_optTS_bcl3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4655.10170147; Eh
6-Apr-2023	/adducts frq_opt_bh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3287.08159178; Eh
6-Apr-2023	/hia frq_HbOTf3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-2911.17784017; Eh
6-Apr-2023	/hia Hbch33_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-145.32338128; Eh
6-Apr-2023	/fia Fbsh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-1320.75040843; Eh

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