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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Se_33_P_1_33_F_P_1_33_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3060.87909539; Eh
	28-Feb-2026	Se_33_P_1_33_F_1_P_1_33_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2960.95825868; Eh
	28-Feb-2026	Se_32_R_1_32_R_1_32_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2896.38860990; Eh
	28-Feb-2026	Se_33_P_1_33_F_P_1_33_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3060.82196226; Eh
	28-Feb-2026	Se_33_P_1_33_F_1_P_1_33_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2960.91101386; Eh
	28-Feb-2026	Se_33_P_1_33_F_P_1_33_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3060.82196649; Eh
	28-Feb-2026	Se_33_P_1_33_F_1_P_1_33_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2960.91099970; Eh
	28-Feb-2026	Se_32_R_1_32_R_1_32_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2896.40358669; Eh
	28-Feb-2026	Se_32_R_1_32_R_1_32_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2896.40357935; Eh
	28-Feb-2026	Se_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	-2943.00729480; Eh

Results 383831-383840 of 397199 (Search time: 0.207 seconds).