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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2026	Compound 15 syn conformation B3LYP pcJ2	Chavez, Daniel; Cooksy, Andrew; Aguirre, Gerardo; Pearce, Harrison; Navarrette, Angelica; Ariaza, Fernanda	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	GEN	-420.9903716; Eh
	5-Mar-2026	2-Naphthylcarbaldehyde_sp	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point	U-DFT	def2-TZVP	-499.1549997504; Eh
	5-Mar-2026	IIi_sp	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point	U-DFT	def2-TZVP	-5369.010562269; Eh
	5-Mar-2026	I_sp	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point	U-DFT	def2-TZVP	-4869.848429314; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl2F_isomer_10_0 Cl2F_isomer_10_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1043.71151213; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl2F_isomer_6_1 Cl2F_isomer_6_1	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1043.71799036; Eh
	6-Mar-2026	/fluronapthalene/anion/Cl2F_isomer_12_0 Cl2F_isomer_12_0	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Minimum	-	CBSB1	-1043.71709086; Eh
	4-Mar-2026	SP_Chloromethane	Matsutani, Satoshi	Orca; 6.1.1; RELEASE	Single point	DLPNO-CCSD(T)	ma-def2-TZVP; AutoAux	-499.13968303583044; Eh
	4-Mar-2026	FREQ_Chloromethane	Matsutani, Satoshi	Gaussian; 16; ES64L-G16RevC.02	Single point Minimum	RwB97XD	DEF2SVPP	-499.911845765; Eh
	4-Mar-2026	/plan2/dft/b3lyp b3lyp	Charapale, Omkar	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CBSB3* 6-311G(D,P)*	-232.327395445; Eh

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