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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_aug-cc-pVQZ_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | AUG-CC-PVQZ | -535.346574887; Eh | |||
 | 14-Sep-2023 | /Scaling_factors NH3_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -56.5496308111; Eh | |||
 | 14-Sep-2023 | /Scaling_factors N2O_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -184.669134524; Eh | |||
 | 14-Sep-2023 | /Scaling_factors N2_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -109.535908095; Eh | |||
 | 14-Sep-2023 | /Scaling_factors HCN_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -93.4243569149; Eh | |||
 | 14-Sep-2023 | /Scaling_factors HF_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -100.451162318; Eh | |||
 | 14-Sep-2023 | /Scaling_factors C2H2_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -76.8672365500; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CH4_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -40.2649617034; Eh | |||
 | 14-Sep-2023 | /Scaling_factors Cl2_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -915.881358120; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -112.624792826; Eh |
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