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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH2_revDSD-PBEP86-D4_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-39.06289836454773; Eh
15-Jul-2025	CH2_CCSDT_aug-cc-pV5Z_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.06330250; Eh
15-Jul-2025	CH2_CCSDT_aug-cc-pV5Z_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	CH2_CCSDT_aug-cc-pVQZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	CH2_c0_m3_53350287_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-38.94034195; Eh
15-Jul-2025	CH2_c0_m3_53350287_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.06330250; Eh
15-Jul-2025	C_c-1_m2_53350255_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-37.67756875; Eh
15-Jul-2025	C_c0_m5_53350271_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-37.59873497; Eh
15-Jul-2025	C_c+1_m2_53350263_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.32810383; Eh
15-Jul-2025	C_c0_m5_53350271_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.60594806; Eh

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