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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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	/adducts frq_optTS_bc2f53_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5002.36514736; Eh
6-Apr-2023	/adducts frq_optTS_bc2f53_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5012.37909132; 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	/transeff frq_opt_Br_bPh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6094.65330975; Eh
6-Apr-2023	/transeff frq_opt_OH_bcl3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4281.78721772; Eh
6-Apr-2023	/transeff frq_opt_F_bcl3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4305.83718248; Eh
6-Apr-2023	/hia hydride	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVP	-0.64495021; Eh
6-Apr-2023	/adducts frq_opt_bnc6f53_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-7807.16430337; Eh
6-Apr-2023	/adducts frq_optTS_alcl3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4873.92411242; Eh

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