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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Jan-2023 | /L2_META S3_L2_META_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3332.08698160; Eh | ||||
2-Jan-2023 | /L2_META S4_L2_META_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2888.94073687; Eh | ||||
2-Jan-2023 | /L2_PARA S5_L2_PARA_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2858.79737335; Eh | ||||
2-Jan-2023 | /L1 S1_L1_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2277.89345241; Eh | ||||
2-Jan-2023 | /L2_PARA S3_L2_PARA_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3332.09959162; Eh | ||||
2-Jan-2023 | /L2_PARA S3_L2_PARA_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3332.09016529; Eh | ||||
2-Jan-2023 | /L2_PARA S5_L2_PARA_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2858.78932723; Eh | ||||
2-Jan-2023 | /L2_PARA S4_L2_PARA_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2888.93572801; Eh | ||||
2-Jan-2023 | /L2_PARA S4_L2_PARA_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2888.92966725; Eh | ||||
2-Jan-2023 | /L2_PARA S2_L2_PARA_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2739.27682347; Eh |
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