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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH_c-2_m2_53350274_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.00403214; Eh
15-Jul-2025	CH_c0_m4_53166261_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.36574643; Eh
15-Jul-2025	CH_c0_m4_53166261_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.36497174; Eh
15-Jul-2025	CH_BP86_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-38.49019563; Eh
15-Jul-2025	CH_BP86_def2-TZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-TZVP; def2-TZVP/C; def2/J	-38.48712784; Eh
15-Jul-2025	CH_CCSDT_aug-cc-pV5Z_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38203007; Eh
15-Jul-2025	CH_BP86_def2-TZVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.38291255; Eh
15-Jul-2025	CH_BP86_def2-TZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38279298; Eh
15-Jul-2025	CH_B3LYP_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-38.47497936; Eh
15-Jul-2025	CH_B2PLYP_def2-QZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVP; def2-TZVP/C; def2/J	-38.42664384; Eh

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