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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 CH4_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -40.5002847156; Eh | |||
 | 14-Sep-2023 | /Scaling_factors Cl2_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -920.359839217; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO2_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -188.596935653; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -1.16845983786; Eh | |||
 | 14-Sep-2023 | /Scaling_factors F2_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -199.521834130; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -113.322295437; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(freq)_-_M06-2X_6-311++G(2d,2p)_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-311++G(2D,2P) | -535.279913023; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(freq)_-_M06-2X_3-21G_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 3-21G | -532.142420533; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(freq)_-_M06-2X_6-31G_-_No_solvation | Nicolaou, Michael | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM062X | 6-31G | -534.945223268; Eh | |||
 | 14-Sep-2023 | /Scaling_factors N2_(opt-freq)_-_M06-2X_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G(2D,2P) | -109.527135749; Eh |
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