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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_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_2_P_1_2_F_P_1_2_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-637.39074692; 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
	28-Feb-2026	S_2_R_1_2_R_1_2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-437.12731714; Eh
	28-Feb-2026	S_2_R_1_2_R_1_2_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-437.12731738; Eh
	28-Feb-2026	S_34_P_1_34_F_1_P_1_34_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1033.12566873; Eh
	28-Feb-2026	S_34_P_1_34_F_P_1_34_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1132.99299922; Eh

Results 387561-387570 of 397899 (Search time: 0.26 seconds).