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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2025	CH4_revDSD-PBEP86-D4_2021_def2-TZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-TZVP; def2-TZVP/C; def2/J	-40.33415422929422; Eh
	15-Jul-2025	CH4_revDSD-PBEP86-D4_2021_def2-QZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-40.42712156625316; Eh
	15-Jul-2025	CH4_revDSD-PBEP86-D4_2021_def2-TZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-40.42712156625316; Eh
	15-Jul-2025	CH4_revDSD-PBEP86-D4_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-40.42706748331370; Eh
	15-Jul-2025	CH4_revDSD-PBEP86-D4_2021_def2-TZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-40.42706748331370; Eh
	15-Jul-2025	CH4_r2SCAN-3C_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-40.50375095; Eh
	15-Jul-2025	CH4_revDSD-PBEP86_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-40.42712165214622; Eh
	15-Jul-2025	CH4_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	-40.21698429; Eh
	15-Jul-2025	CH4_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	-40.21627728; Eh
	15-Jul-2025	CH4_DLPNO-CCSDT_aug-cc-pVQZ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-40.42712213; Eh

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