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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2025	C_c+4_m1_53350337_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-32.31686009; Eh
	15-Jul-2025	C_c-4_m1_53350262_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-35.58223063; Eh
	15-Jul-2025	geometry_mp2_ch3_CCSDT_def2-TZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-39.58031056; Eh
	15-Jul-2025	geometry_mp2_ch4_CCSDT_def2-TZVP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-40.21610087; Eh
	15-Jul-2025	geometry_mp2_ch4_CCSDT_def2-TZVP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	CCSD(T)	def2-TZVP; def2-TZVP/C	-40.21301079; Eh
	15-Jul-2025	geometry_mp2_ch4_CCSDT_def2-TZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	CCSD(T)	def2-TZVP; def2-TZVP/C	-40.21296112; Eh
	15-Jul-2025	geometry_mp2_ch_CCSDT_def2-TZVP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	CCSD(T)	def2-TZVP; def2-TZVP/C	-38.28564260; Eh
	15-Jul-2025	geometry_CH3_MP2_DEF2-QZVPP_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; def2-TZVP/C; def2/J	-39.58053408; Eh
	15-Jul-2025	geometry_CH3_MP2_DEF2-QZVPP_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-39.58105290; Eh
	15-Jul-2025	geometry_CH3_MP2_DEF2-QZVPP_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	MP2	DEF2-QZVPP; DEF2-QZVPP/C	-39.54582375; Eh

Results 31-40 of 510 (Search time: 0.001 seconds).