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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_11_P_1_11_F_1_P_1_11_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1065.30005694; Eh
	28-Feb-2026	S_10_P_1_10_O_P_1_10_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-803.59850163; Eh
	28-Feb-2026	S_10_R_1_10_R_1_10_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-727.73559289; Eh
	28-Feb-2026	S_11_P_1_11_F_1_P_1_11_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1065.21086477; Eh
	28-Feb-2026	S_11_P_1_11_F_1_P_1_11_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1065.21086889; Eh
	28-Feb-2026	S_10_P_1_10_O_P_1_10_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-803.56232849; Eh
	28-Feb-2026	S_10_P_1_10_O_P_1_10_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-803.56233234; Eh
	28-Feb-2026	S_10_R_1_10_R_1_10_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-727.66814495; Eh
	28-Feb-2026	S_10_R_1_10_R_1_10_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-727.66814307; Eh
	28-Feb-2026	S_14_P_1_14_F_P_1_14_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-787.20067191; Eh

Results 384981-384990 of 397032 (Search time: 0.227 seconds).