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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Sep-2023 | /Scaling_factors CO2_(opt-freq)_-_M06-2X_cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVQZ | -188.603363485; Eh | |||
 | 14-Sep-2023 | /Scaling_factors F2_(opt-freq)_-_M06-2X_cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVQZ | -199.527006150; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_M06-2X_cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVQZ | -113.326121060; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_M06-2X_aug-cc-pVQZ_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | AUG-CC-PVTZ | -535.318236316; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_M06-2X_aug-cc-pVTZ_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | AUG-CC-PVTZ | -535.318236316; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_M06-2X_def2-QZVP_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2QZVP | -535.363769773; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_M06-2X_def2-TZVP_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -535.318532287; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_M06-2X_cc-pVQZ_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVQZ | -535.343926920; Eh | |||
 | 14-Sep-2023 | /Scaling_factors C2H2_(opt-freq)_-_M06-2X_cc-pVDZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVDZ | -77.2985146421; Eh | |||
 | 14-Sep-2023 | /Scaling_factors NH3_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -56.5224490766; Eh |
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