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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Feb-2026	/benzyne/p-benzyne p-benzyne_s_sp-s	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM062X	GENECP	-230.8761318; Eh
	18-Feb-2026	/benzene benzene_opt	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311++G(D,P)	-232.200301116; Eh
	18-Feb-2026	/benzene benzene_sp-s	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	GENECP	-232.2474267; Eh
	18-Feb-2026	/phenyl_attack_benzene phenyl_attack_benzene_product_sp	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM062X	GENECP	-463.8448461; Eh
	28-Feb-2026	C_25_P_1_25_F_1_P_1_25_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-940.18574709; Eh
	28-Feb-2026	C_25_P_1_25_F_P_1_25_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1040.66283010; Eh
	28-Feb-2026	C_25_P_1_25_F_1_P_1_25_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-940.76247670; Eh
	28-Feb-2026	C_25_P_1_25_F_1_P_1_25_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-940.76228049; Eh
	18-Feb-2026	29_FREQ_TPSSH-D4_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1842.92049719963120; Eh
	18-Feb-2026	44_FREQ_PBE_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1726.76550522592925; Eh

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