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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_33_P_1_33_F_P_1_33_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-698.12011518; 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_P_1_33_F_P_1_33_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-698.43810450; Eh
	28-Feb-2026	C_33_P_1_33_F_1_P_1_33_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-598.48446822; Eh
	28-Feb-2026	C_33_P_1_33_O_P_1_33_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-574.18654449; Eh
	28-Feb-2026	C_33_P_1_33_F_P_1_33_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-698.43810773; Eh
	28-Feb-2026	C_33_P_1_33_F_1_P_1_33_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-598.48447318; 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
	28-Feb-2026	C_37_P_1_37_F_1_P_1_37_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-978.69872594; Eh
	28-Feb-2026	C_37_P_1_37_F_P_1_37_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1078.66145035; Eh

Results 384251-384260 of 397199 (Search time: 0.212 seconds).