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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_20_P_1_20_F_1_P_1_20_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-765.66902970; Eh
	28-Feb-2026	S_20_P_1_20_F_P_1_20_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-865.57833535; Eh
	28-Feb-2026	S_20_P_1_20_O_P_1_20_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-741.29682126; Eh
	28-Feb-2026	S_20_P_1_20_F_P_1_20_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-865.59764596; Eh
	28-Feb-2026	S_20_P_1_20_F_1_P_1_20_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-765.69091650; Eh
	28-Feb-2026	S_20_P_1_20_O_P_1_20_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-741.35011537; Eh
	28-Feb-2026	S_20_P_1_20_F_P_1_20_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-865.59765167; Eh
	28-Feb-2026	S_20_P_1_20_F_1_P_1_20_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-765.69062698; Eh
	28-Feb-2026	S_20_P_1_20_O_P_1_20_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-741.35013017; Eh
	28-Feb-2026	S_22_P_1_22_F_P_1_22_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1022.28456544; Eh

Results 384331-384340 of 397199 (Search time: 0.225 seconds).