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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/transeff frq_opt_Br_bOTf3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-8285.04068598; Eh
6-Apr-2023	/transeff frq_opt_I_bOTf3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6008.45206657; Eh
6-Apr-2023	/electrochem frq_opt_bc2f53_re_1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5012.18590689; Eh
6-Apr-2023	/adducts frq_optTS_boh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3513.04666068; Eh
6-Apr-2023	/transeff frq_opt_F_bPh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3620.09724183; Eh
6-Apr-2023	/hia frq_bEt3	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVP	-262.60831235; Eh
6-Apr-2023	/fia frq_bh3	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-26.60654548; Eh
6-Apr-2023	/hia frq_hydride	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-0.64495021; Eh
6-Apr-2023	/adducts frq_optTS_boh3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum; Single point Minimum	DFT	def2-TZVP	-3502.99572697; -3502.99572682; Eh; Eh
6-Apr-2023	/electrochem frq_opt_bc2f53_re_2_3	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5011.95541149; Eh

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