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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-TZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-TZVP; def2-TZVP/C; def2/J	-39.02205178859293; Eh
15-Jul-2025	CH2_revDSD-PBEP86-D4_2021_def2-TZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-39.06330438362384; Eh
15-Jul-2025	CH2_revDSD-PBEP86-D4_2021_def2-TZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-39.06289836454773; Eh
15-Jul-2025	CH2_revPBE0_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	C_F12_RI-CCSDT_cc-pVTZ-F12_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	F12/RI-CCSD(T)	cc-pVTZ-F12; cc-pVTZ-F12-CABS; cc-pVQZ/C	-37.69333482; Eh
15-Jul-2025	C_DLPNO-CCSDT_aug-cc-pVTZ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pVTZ; aug-cc-pVTZ/C	-37.69181115; Eh
15-Jul-2025	C_DLPNO-CCSDT_CBSTQ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVP/C; def2/J	-37.69181115; Eh
15-Jul-2025	C_F12_RI-CCSDT_cc-pVTZ-F12_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397356; Eh
15-Jul-2025	CH2_B2PLYP_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	C_DLPNO-CCSDT_CBSTQ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397356; Eh

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