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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_28_R_1_28_R_1_28_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-859.75988419; Eh
	28-Feb-2026	S_34_P_1_34_O_P_1_34_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1008.74383346; Eh
	28-Feb-2026	S_35_P_1_35_F_1_P_1_35_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-840.12958715; Eh
	28-Feb-2026	S_34_R_1_34_R_1_34_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-933.02798513; Eh
	28-Feb-2026	S_35_P_1_35_F_P_1_35_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-939.74845249; Eh
	28-Feb-2026	S_35_P_1_35_F_1_P_1_35_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-839.79059386; Eh
	28-Feb-2026	S_34_P_1_34_O_P_1_34_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1008.91338983; Eh
	28-Feb-2026	S_35_P_1_35_F_1_P_1_35_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-839.79058963; Eh
	28-Feb-2026	S_34_R_1_34_R_1_34_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-933.17588675; Eh
	28-Feb-2026	S_34_R_1_34_R_1_34_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-933.17588479; Eh

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