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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_30_P_1_30_O_P_1_30_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-776.88972953; Eh
	28-Feb-2026	S_30_P_1_30_F_P_1_30_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-901.16241493; Eh
	28-Feb-2026	S_30_P_1_30_O_P_1_30_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-776.91879926; Eh
	28-Feb-2026	S_30_P_1_30_F_1_P_1_30_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-801.24632558; Eh
	28-Feb-2026	S_30_P_1_30_F_P_1_30_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-901.16240810; Eh
	28-Feb-2026	S_30_P_1_30_O_P_1_30_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-776.91847346; Eh
	28-Feb-2026	S_30_R_1_30_R_1_30_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-701.16482225; Eh
	28-Feb-2026	S_35_P_1_35_F_P_1_35_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-940.09434372; 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

Results 391641-391650 of 402241 (Search time: 0.217 seconds).