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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_32_P_1_32_O_P_1_32_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-609.77520252; Eh
	28-Feb-2026	C_32_P_1_32_F_P_1_32_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-734.01420930; Eh
	28-Feb-2026	C_32_P_1_32_O_P_1_32_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-609.77515452; Eh
	28-Feb-2026	C_32_R_1_32_R_1_32_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-533.94541251; Eh
	28-Feb-2026	C_32_R_1_32_R_1_32_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-533.94540454; Eh
	28-Feb-2026	C_36_P_1_36_F_1_P_1_36_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-821.89120958; Eh
	28-Feb-2026	C_36_P_1_36_F_P_1_36_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-921.88465608; Eh
	28-Feb-2026	C_36_P_1_36_O_P_1_36_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-797.58472358; Eh
	28-Feb-2026	C_36_P_1_36_F_P_1_36_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-921.60534895; Eh
	28-Feb-2026	C_36_P_1_36_F_1_P_1_36_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-821.61963485; Eh

Results 384931-384940 of 397032 (Search time: 0.245 seconds).