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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH3_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	-39.82323742; Eh
15-Jul-2025	CH3_M06-2X_6-311+Gdp_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	6-311+G(d,p); def2-TZVP/C; def2/J	-39.82097485; Eh
15-Jul-2025	CH3_M06-2X_6-311+Gdp_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.74849228; Eh
15-Jul-2025	CH3_M06-2X_6-311+Gdp_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.71025539; Eh
15-Jul-2025	CH3_M062X_aug-cc-pVDZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.71025539; Eh
15-Jul-2025	CH3_CCSDT_aug-cc-pV5Z_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pV5Z; aug-cc-pV5Z/C	-39.58107596; Eh
15-Jul-2025	CH3_CCSDT_aug-cc-pVQZ_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-39.58045063; Eh
15-Jul-2025	CH3_CCSDT_aug-cc-pV5Z_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.74849228; Eh
15-Jul-2025	CH3_CCSDT_aug-cc-pVQZ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.74849228; Eh
15-Jul-2025	CH3_CCSDT_aug-cc-pVQZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.71025539; Eh

Results 101-110 of 510 (Search time: 0.002 seconds).