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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	geometry_CH3_CCSDT_cc-pVtz_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	CCSD(T)	cc-pVtz; cc-pVtz/C	-39.57757736; Eh
	15-Jul-2025	geometry_CH3_CCSDT_cc-pVtz_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	CCSD(T)	cc-pVtz; cc-pVtz/C	-39.54224358; Eh
	15-Jul-2025	C_revDSD-PBEP86-D3BJ_2021_def2-QZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-37.74947005632124; Eh
	15-Jul-2025	C_revDSD-PBEP86-D4_2021_def2-QZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-37.74947005632124; Eh
	15-Jul-2025	C_revDSD-PBEP86_2021_def2-QZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-37.74947005632124; Eh
	15-Jul-2025	C_revDSD-PBEP86-D3BJ_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	-	-37.75397345314158; Eh
	15-Jul-2025	C_revDSD-PBEP86-D4_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	-	-37.75397353248424; Eh
	15-Jul-2025	C_M06-2X_6-311++G2d2p_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	6-311++G(2d,2p); def2-TZVP/C; def2/J	-37.84085574; Eh
	15-Jul-2025	CH_WB97X-D4_def2-QZVPP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-TZVP/C; def2/J	-38.51283192; Eh
	15-Jul-2025	C_M06-2X_6-311++G2d2p_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397356; Eh

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