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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH_DLPNO-CCSDT_aug-cc-pV5Z_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38203007; Eh
15-Jul-2025	CH_CCSDT_aug-cc-pVTZ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.38291334; Eh
15-Jul-2025	CH_CCSDT_aug-cc-pVTZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38203007; Eh
15-Jul-2025	CH_CCSDT_CBSTQ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.38291255; Eh
15-Jul-2025	CH_CCSDT_CBSTQ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38279298; Eh
15-Jul-2025	CH2_M062X_aug-cc-pVDZ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	aug-cc-pVDZ; def2-TZVP/C; def2/J	-39.13435903; Eh
15-Jul-2025	CH2_r2SCAN-3C_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-39.14067913; Eh
15-Jul-2025	CH2_PWPB95_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-39.09946144; Eh
15-Jul-2025	CH2_revDSD-PBEP86_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-39.06289836454773; Eh
15-Jul-2025	CH2_r2SCAN-3C_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.05411255; Eh

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