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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_32_P_1_32_F_P_1_32_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1093.47548472; Eh
	28-Feb-2026	S_32_P_1_32_O_P_1_32_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-969.21436032; Eh
	28-Feb-2026	S_32_R_1_32_R_1_32_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-893.48574727; Eh
	28-Feb-2026	S_32_P_1_32_O_P_1_32_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-969.40936328; Eh
	28-Feb-2026	S_32_P_1_32_F_P_1_32_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1093.63978272; Eh
	28-Feb-2026	S_32_P_1_32_O_P_1_32_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-969.40793222; Eh
	28-Feb-2026	S_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	-	-958.18965824; Eh
	28-Feb-2026	S_32_R_1_32_R_1_32_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-893.68394165; Eh
	28-Feb-2026	S_32_R_1_32_R_1_32_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-893.68393945; Eh
	28-Feb-2026	S_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	-1338.63752835; Eh

Results 391001-391010 of 402284 (Search time: 0.226 seconds).