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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH_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	-38.28382180; Eh
15-Jul-2025	CH_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	-38.47122391; Eh
15-Jul-2025	CH_M06-2X_6-311++G2d2p_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.38291306; Eh
15-Jul-2025	CH_M06-2X_6-311++G2d2p_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38291270; Eh
15-Jul-2025	CH_F12_RI-CCSDT_cc-pVTZ-F12_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.38291148; Eh
15-Jul-2025	CH2_M06-2X_6-311+Gd,p_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	6-311+G(d,p); def2-TZVP/C; def2/J	-39.14189263; Eh
15-Jul-2025	CH2_M06-2X_6-311+Gd,p_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.06330250; Eh
15-Jul-2025	CH2_M06-2X_6-311+Gd,p_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh
15-Jul-2025	CH2_M062X_aug-cc-pVDZ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.06330250; Eh
15-Jul-2025	CH2_M062X_aug-cc-pVDZ_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.06289744; Eh

Results 451-460 of 510 (Search time: 0.001 seconds).