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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Dec-2023	turbo-pbe0-d3	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def-TZVP	-1251.221849474; Eh
6-Dec-2023	turbo-pbe0	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def-TZVP	-1251.185866357; Eh
6-Dec-2023	turbo	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-790.6531251576; Eh
6-Dec-2023	turbo	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1095.725479010; Eh
6-Dec-2023	turbo-pbe0	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def-TZVP	-1251.199049223; Eh
6-Dec-2023	pbe0-d3	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.373266488; Eh
6-Dec-2023	pbe0	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.336608067; Eh
6-Dec-2023	m06	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.601457979; Eh
6-Dec-2023	pbe	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.275392230; Eh
6-Dec-2023	tpssh-d3	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1027.041926766; Eh

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