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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/electrochem frq_opt_phosphirene_re_2_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3719.85430542; Eh
6-Apr-2023	/adducts frq_opt_bc6f5_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5469.68173581; Eh
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	/adducts frq_optTS_boh3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3501.89140849; Eh
6-Apr-2023	/adducts frq_opt_bi3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4168.94763715; Eh
6-Apr-2023	/fia frq_FbOTf3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3010.53554519; Eh
6-Apr-2023	/fia Fbc6f5_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-2307.97916148; Eh
6-Apr-2023	/hia Hbc2f5_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-1752.70346534; Eh
6-Apr-2023	/electrochem frq_opt_bOTf3_re_2_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6170.43746669; Eh
6-Apr-2023	/electrochem frq_opt_bOTf3_re_-1_2	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6170.95454628; Eh

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