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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_32_R_1_32_R_1_32_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-893.68393945; Eh
	28-Feb-2026	S_36_P_1_36_F_P_1_36_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1281.77034865; Eh
	28-Feb-2026	S_36_P_1_36_O_P_1_36_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1157.47170719; Eh
	28-Feb-2026	S_36_R_1_36_R_1_36_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1081.63878422; Eh
	28-Feb-2026	S_36_P_1_36_F_P_1_36_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1281.29971264; Eh
	28-Feb-2026	S_36_P_1_36_O_P_1_36_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1157.03706086; Eh
	28-Feb-2026	S_36_P_1_36_F_P_1_36_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1281.29973238; Eh
	28-Feb-2026	S_36_P_1_36_O_P_1_36_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1157.03706083; Eh
	28-Feb-2026	S_36_R_1_36_R_1_36_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1081.17975889; Eh
	28-Feb-2026	S_36_R_1_36_R_1_36_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1081.17975630; Eh

Results 385061-385070 of 397032 (Search time: 0.204 seconds).