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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_27_R_1_27_R_1_27_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-302.12882535; Eh
	28-Feb-2026	C_2_P_1_2_O_P_1_2_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-153.43373456; Eh
	28-Feb-2026	C_2_P_1_2_F_P_1_2_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-277.75238765; Eh
	28-Feb-2026	C_2_R_1_2_R_1_2_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-77.29946444; Eh
	28-Feb-2026	C_2_P_1_2_F_P_1_2_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-277.77497803; Eh
	28-Feb-2026	C_2_P_1_2_O_P_1_2_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-153.50459283; Eh
	28-Feb-2026	C_2_P_1_2_O_P_1_2_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-153.50458337; Eh
	28-Feb-2026	C_2_P_1_2_F_P_1_2_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-277.77499244; Eh
	28-Feb-2026	C_2_R_1_2_R_1_2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-77.33144968; Eh
	28-Feb-2026	C_2_R_1_2_R_1_2_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-77.33144970; Eh

Results 384231-384240 of 397199 (Search time: 0.209 seconds).