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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	C_29_P_1_29_F_1_P_1_29_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-555.63506595; Eh
	28-Feb-2026	C_28_R_1_28_R_1_28_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-500.00222649; Eh
	28-Feb-2026	C_28_R_1_28_R_1_28_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-500.00222529; Eh
	28-Feb-2026	C_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	-673.26518987; Eh
	28-Feb-2026	C_33_P_1_33_O_P_1_33_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-573.81983592; Eh
	28-Feb-2026	C_33_R_1_33_R_1_33_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-497.90501513; Eh
	28-Feb-2026	C_34_P_1_34_F_P_1_34_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-773.51645243; Eh
	28-Feb-2026	C_34_P_1_34_F_1_P_1_34_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-673.59381656; Eh
	28-Feb-2026	C_34_P_1_34_F_1_P_1_34_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-673.59383454; Eh
	28-Feb-2026	C_33_P_1_33_O_P_1_33_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-574.18653484; Eh

Results 382371-382380 of 397899 (Search time: 0.241 seconds).