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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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	/fia frq_bi3	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-918.48479173; Eh
6-Apr-2023	/fia boh3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-252.54374678; Eh
6-Apr-2023	/fia bi3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-918.25247288; 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 frq_bOTf3	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-2910.40281523; Eh
6-Apr-2023	/fia sime3F_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-509.30903155; Eh
6-Apr-2023	/fia frq_bc2f5	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-1751.89099299; Eh
6-Apr-2023	/fia frq_bch33	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-144.64773146; Eh
6-Apr-2023	/fia frq_bh3	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-26.60654548; Eh

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