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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH2_revDSD-PBEP86_2021_def2-QZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-39.02465401417764; Eh
15-Jul-2025	CH2_revDSD-PBEP86-D3BJ_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-39.06289836454773; Eh
15-Jul-2025	CH2_revDSD-PBEP86_2021_def2-QZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-39.06330438362384; Eh
15-Jul-2025	CH2_DLPNO-CCSDT_aug-cc-pV5Z_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pV5Z; aug-cc-pV5Z/C	-38.94088467; Eh
15-Jul-2025	CH2_DLPNO-CCSDT_aug-cc-pVQZ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-38.94034195; Eh
15-Jul-2025	CH2_DLPNO-CCSDT_aug-cc-pV5Z_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.06330250; Eh
15-Jul-2025	CH2_DLPNO-CCSDT_aug-cc-pVQZ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.06330250; Eh
15-Jul-2025	CH2_DLPNO-CCSDT_aug-cc-pVQZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	CH2_DLPNO-CCSDT_aug-cc-pVTZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	CH3_c-1_m1_53350288_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-39.52420454; Eh

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