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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_R_1_11_R_1_11_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-965.04322630; Eh
	28-Feb-2026	S_11_R_1_11_R_1_11_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-965.04322294; Eh
	28-Feb-2026	S_15_P_1_15_F_1_P_1_15_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-726.46757575; Eh
	28-Feb-2026	S_15_P_1_15_F_P_1_15_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-826.36917489; Eh
	28-Feb-2026	S_15_P_1_15_O_P_1_15_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-702.09649940; Eh
	28-Feb-2026	S_15_P_1_15_F_P_1_15_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-826.34805401; Eh
	28-Feb-2026	S_15_P_1_15_F_1_P_1_15_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-726.44735116; Eh
	28-Feb-2026	S_15_P_1_15_F_P_1_15_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-826.34807572; Eh
	28-Feb-2026	S_15_P_1_15_O_P_1_15_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-702.10865998; Eh
	28-Feb-2026	S_15_P_1_15_F_1_P_1_15_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-726.44713651; Eh

Results 384311-384320 of 397199 (Search time: 0.227 seconds).