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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2025	/79 79_I	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RwB97XD	DEF2SVP DEF2TZVPP	-840.2055267; Eh
	19-Mar-2025	benazolin_ethyl_CONF10_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1564.14536634; Eh
	19-Mar-2025	benazolin_ethyl_CONF2_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1564.14452075; Eh
	19-Mar-2025	benazolin_ethyl_CONF3_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1564.14580630; Eh
	19-Jan-2026	pt_constant_potential_h_8_dipole	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-94.61677446; eV
	19-Jan-2026	pt_constant_potential_h_4_1_002	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-84.56409991; eV
	19-Jan-2026	pt_constant_potential_h_4_0_994	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-72.32872109; eV
	19-Jan-2026	pt_constant_potential_h_4_1_004	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-86.97484814; eV
	19-Jan-2026	pt_constant_potential_h_4_0_998	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-78.90957568; eV
	19-Jan-2026	pt_constant_potential_h_4_0_996	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-75.71932432; eV

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