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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	S_25_P_1_25_F_1_P_1_25_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1300.03044206; Eh
	28-Feb-2026	S_25_P_1_25_F_P_1_25_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1399.91323071; Eh
	28-Feb-2026	S_25_P_1_25_O_P_1_25_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1275.64792885; Eh
	28-Feb-2026	S_25_P_1_25_F_P_1_25_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1400.29544826; Eh
	28-Feb-2026	S_25_P_1_25_O_P_1_25_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1276.06436724; Eh
	28-Feb-2026	S_25_P_1_25_F_P_1_25_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1400.29148714; Eh
	28-Feb-2026	S_25_P_1_25_F_1_P_1_25_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1300.40869106; Eh
	28-Feb-2026	S_25_P_1_25_O_P_1_25_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1276.06432883; Eh
	28-Feb-2026	S_25_R_1_25_R_1_25_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1200.35147461; Eh
	28-Feb-2026	S_2_P_1_2_F_P_1_2_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-637.56113219; Eh

Results 387551-387560 of 397899 (Search time: 0.271 seconds).