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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Sep-2023	/Vanillin_benchmark Vanillin_(freq)_-_M06-2X_cc-pVQZ_-_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RM062X	CC-PVQZ	-535.343926920; Eh
	14-Sep-2023	/Vanillin_benchmark Vanillin_(freq)_-_M06-2X_cc-pVTZ_-_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	CC-PVTZ	-535.310333500; Eh
	14-Sep-2023	/Vanillin_benchmark Vanillin_(freq)_-_M06-2X_cc-pVDZ_-_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	CC-PVDZ	-535.160703122; Eh
	14-Sep-2023	/Vanillin_benchmark Vanillin_(freq)_-_M06-2X_6-311G_-_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-311G	-535.084811998; Eh
	14-Sep-2023	/Scaling_factors H2CO_(opt-freq)_-_M06-2X_3-21G_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	3-21G	-113.802595848; Eh
	14-Sep-2023	/Scaling_factors N2O_(opt-freq)_-_M06-2X_3-21G_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	3-21G	-183.509947346; Eh
	14-Sep-2023	/Scaling_factors H2O_(opt-freq)_-_M06-2X_3-21G_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	3-21G	-75.9387016750; Eh
	14-Sep-2023	/Scaling_factors CO2_(opt-freq)_-_M06-2X_3-21G_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	3-21G	-187.437689039; Eh
	14-Sep-2023	/Scaling_factors F2_(opt-freq)_-_M06-2X_3-21G_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	3-21G	-198.358019855; Eh
	14-Sep-2023	/Scaling_factors HCN_(opt-freq)_-_M06-2X_3-21G_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	3-21G	-92.8633253745; Eh

Results 31-40 of 165 (Search time: 0.001 seconds).