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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	C_r2SCAN-3C_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397356; Eh
15-Jul-2025	C_PWPB95_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397350; Eh
15-Jul-2025	CH_revDSD-PBEP86-D4_2021_def2-TZVP_sp	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point	DFT	def2-TZVP; def2-TZVP/C; def2/J	-38.35670355961527; Eh
15-Jul-2025	CH_revPBE0_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-38.47955653; Eh
15-Jul-2025	CH_revDSD-PBEP86-D4_2021_def2-TZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-38.38291193207446; Eh
15-Jul-2025	CH_revDSD-PBEP86-D4_2021_def2-TZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-38.38279221098833; Eh
15-Jul-2025	CH_WB97X-D4_def2-QZVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.38291255; Eh
15-Jul-2025	CH_WB97X-D4_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38279298; Eh
15-Jul-2025	CH_revPBE0_def2-QZVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.38291255; Eh
15-Jul-2025	CH_revPBE0_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38279298; Eh

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