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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/transeff frq_opt_I_bcl3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4503.80064847; Eh
6-Apr-2023	/transeff frq_opt_I_bPh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3818.06508851; Eh
6-Apr-2023	/adducts frq_optTS_bcl3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4666.21724787; 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_bsh3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4471.90664333; Eh
6-Apr-2023	/adducts frq_opt_bsh3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4470.80377328; Eh
6-Apr-2023	/hia Hbsh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-1221.40695911; Eh
6-Apr-2023	/transeff frq_opt_F_bOTf3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5810.49186283; Eh
6-Apr-2023	/adducts frq_opt_bnc6f53_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-7818.28230741; Eh
6-Apr-2023	/adducts frq_opt_bch3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVP	-3405.07860720; Eh

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