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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_10_P_1_10_O_P_1_10_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-443.91025655; Eh
	28-Feb-2026	C_10_P_1_10_F_P_1_10_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-568.16178205; Eh
	28-Feb-2026	C_10_P_1_10_O_P_1_10_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-443.91025721; Eh
	28-Feb-2026	C_10_R_1_10_R_1_10_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-367.86799333; Eh
	28-Feb-2026	C_13_R_1_13_R_1_13_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-188.08798357; Eh
	28-Feb-2026	C_10_R_1_10_R_1_10_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-367.86799263; Eh
	28-Feb-2026	C_18_P_1_18_O_P_1_18_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-694.89846257; Eh
	28-Feb-2026	C_19_P_1_19_F_1_P_1_19_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-327.45325551; Eh
	28-Feb-2026	C_18_R_1_18_R_1_18_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-619.17589247; Eh
	28-Feb-2026	C_19_P_1_19_F_P_1_19_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-427.50051537; Eh

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