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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH3_revDSD-PBEP86-D4_2021_def2-TZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-39.74849369715746; Eh
15-Jul-2025	CH3_revDSD-PBEP86-D4_2021_def2-TZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-39.71025707046534; Eh
15-Jul-2025	CH3_revPBE0_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.71025539; Eh
15-Jul-2025	CH3_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	-39.58012254; Eh
15-Jul-2025	CH3_DLPNO-CCSDT_CBSTQ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVP/C; def2/J	-39.57802190; Eh
15-Jul-2025	CH3_M06-2X_6-311++G2d2p_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.74849228; Eh
15-Jul-2025	CH3_M06-2X_6-311++G2d2p_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.71025539; Eh
15-Jul-2025	CH3_F12_RI-CCSDT_cc-pVTZ-F12_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.74849228; Eh
15-Jul-2025	CH3_F12_RI-CCSDT_cc-pVTZ-F12_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.71025539; Eh
15-Jul-2025	CH3_BP86_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-39.85619647; Eh

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