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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_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 C2H2_(opt-freq)_-_M06-2X_6-31G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G | -77.2738622537; Eh | |||
 | 14-Sep-2023 | /Scaling_factors NH3_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -56.1945642078; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CH4_(opt-freq)_-_M06-2X_6-31G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G | -40.4745444125; Eh | |||
 | 14-Sep-2023 | /Scaling_factors Cl2_(opt-freq)_-_M06-2X_6-31G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G | -920.242478379; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO2_(opt-freq)_-_M06-2X_6-31G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G | -188.419766422; Eh | |||
 | 14-Sep-2023 | /Scaling_factors F2_(opt-freq)_-_M06-2X_6-31G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G | -199.397265756; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2_(opt-freq)_-_M06-2X_6-31G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G | -1.16371250375; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_M06-2X_6-31G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G | -113.215153987; Eh |
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