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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_34_P_1_34_O_P_1_34_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1008.91339142; Eh
	28-Feb-2026	S_34_P_1_34_F_P_1_34_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1133.12610439; Eh
	28-Feb-2026	S_34_P_1_34_F_1_P_1_34_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1033.26211413; Eh
	28-Feb-2026	S_34_P_1_34_O_P_1_34_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1008.91338983; Eh
	28-Feb-2026	S_36_P_1_36_F_1_P_1_36_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1181.83014733; Eh
	28-Feb-2026	S_35_P_1_35_O_P_1_35_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-815.79370057; Eh
	28-Feb-2026	S_35_R_1_35_R_1_35_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-739.90137058; Eh
	28-Feb-2026	S_36_P_1_36_F_1_P_1_36_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1181.36377648; Eh
	28-Feb-2026	S_35_P_1_35_O_P_1_35_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-815.48824209; Eh
	28-Feb-2026	S_36_P_1_36_F_1_P_1_36_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1181.36304407; Eh

Results 384381-384390 of 397199 (Search time: 0.223 seconds).