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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_28_P_1_28_F_P_1_28_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1059.90102985; Eh
	28-Feb-2026	S_28_R_1_28_R_1_28_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-859.75986777; Eh
	28-Feb-2026	S_28_R_1_28_R_1_28_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-859.75988419; Eh
	28-Feb-2026	S_30_P_1_30_F_1_P_1_30_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-801.24606392; Eh
	28-Feb-2026	S_2_P_1_2_O_P_1_2_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-513.30534060; Eh
	28-Feb-2026	S_2_R_1_2_R_1_2_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-437.28128104; Eh
	28-Feb-2026	S_30_P_1_30_F_1_P_1_30_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-801.24632731; 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_2_P_1_2_O_P_1_2_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-513.17167063; Eh
	28-Feb-2026	S_2_P_1_2_O_P_1_2_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-513.17166811; Eh

Results 385041-385050 of 397032 (Search time: 0.212 seconds).