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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_9_R_1_9_R_1_9_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-176.40663365; Eh
	28-Feb-2026	C_9_R_1_9_R_1_9_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-176.40663153; Eh
	28-Feb-2026	S_16_P_1_16_F_1_P_1_16_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-765.64505810; Eh
	28-Feb-2026	S_15_P_1_15_O_P_1_15_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-702.09649940; Eh
	28-Feb-2026	S_15_R_1_15_R_1_15_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-626.31970885; Eh
	28-Feb-2026	S_16_P_1_16_F_P_1_16_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-865.57058325; Eh
	28-Feb-2026	S_16_P_1_16_F_1_P_1_16_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-765.67481265; Eh
	28-Feb-2026	S_16_P_1_16_F_1_P_1_16_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-765.67479863; Eh
	28-Feb-2026	S_15_P_1_15_O_P_1_15_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-702.10865976; Eh
	28-Feb-2026	S_15_R_1_15_R_1_15_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-626.31238768; Eh

Results 387531-387540 of 397899 (Search time: 0.248 seconds).