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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_29_P_1_29_O_P_1_29_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-890.87308212; Eh
	28-Feb-2026	S_2_P_1_2_F_1_P_1_2_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-537.64269935; Eh
	28-Feb-2026	S_29_R_1_29_R_1_29_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-815.05388660; Eh
	28-Feb-2026	S_29_P_1_29_O_P_1_29_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-890.98298149; Eh
	28-Feb-2026	S_2_P_1_2_F_P_1_2_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-637.39074863; Eh
	28-Feb-2026	S_2_P_1_2_F_1_P_1_2_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-537.47876415; Eh
	28-Feb-2026	S_29_R_1_29_R_1_29_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-815.14634384; Eh
	28-Feb-2026	S_2_P_1_2_F_1_P_1_2_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-537.47876265; Eh
	28-Feb-2026	S_29_R_1_29_R_1_29_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-815.14634736; Eh
	28-Feb-2026	S_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	-1057.96712519; Eh

Results 388451-388460 of 401714 (Search time: 0.245 seconds).