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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH_c+2_m2_53350278_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-37.10976322; Eh
15-Jul-2025	CH_c+2_m2_53350278_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-37.09813594; Eh
15-Jul-2025	CH_c0_m4_53166261_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-38.29138604; Eh
15-Jul-2025	ch3_c0_m2_53091383_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-39.58045063; Eh
15-Jul-2025	CH2_c+2_m1_53350285_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-37.81773307; Eh
15-Jul-2025	ch3_c0_m2_53091383_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.74849228; Eh
15-Jul-2025	CH2_c+2_m1_53350285_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-37.87755196; Eh
15-Jul-2025	ch3_c0_m2_53091383_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.71025539; Eh
15-Jul-2025	CH4_revDSD-PBEP86-D3BJ_2021_def2-QZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-40.33790234832504; Eh
15-Jul-2025	CH4_revDSD-PBEP86-D4_2021_def2-QZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-40.33790231192692; Eh

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