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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH4_WB97X-D4_def2-QZVPP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-TZVP/C; def2/J	-40.56058459; Eh
15-Jul-2025	CH4_WB97X-D4_def2-QZVPP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-40.42712213; Eh
15-Jul-2025	CH4_WB97X-D4_def2-QZVPP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-40.42706806; Eh
15-Jul-2025	CH_B2PLYP_def2-QZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38279298; Eh
15-Jul-2025	CH4_revDSD-PBEP86-D3BJ_2021_def2-QZVP_hess	Mulks, Florian	Orca; 6.0.0; RELEASE	Single point Minimum	DFT	-	-40.42712155375396; Eh
15-Jul-2025	CH4_revDSD-PBEP86-D3BJ_2021_def2-QZVP_opt	Mulks, Florian	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	-	-40.42712165214622; Eh
15-Jul-2025	CH4_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	-40.49990287; Eh
15-Jul-2025	CH4_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	-40.49690081; Eh
15-Jul-2025	CH4_M06-2X_6-311+Gdp_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-40.42712213; Eh
15-Jul-2025	CH4_M062X_aug-cc-pVDZ_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-40.42712213; Eh

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