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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 S2_L2_META_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2739.28060398; Eh | ||||
2-Jan-2023 | /L2_META S2_L2_META_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2739.28885348; Eh | ||||
2-Jan-2023 | /L2_PARA S1_L2_PARA_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.21052329; Eh | ||||
2-Jan-2023 | /L1 S7_L1_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -12554.3755780; Eh | ||||
2-Jan-2023 | /L1 S7_L1_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -12554.3861776; Eh | ||||
2-Jan-2023 | /L1 S8_L1_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2498.07721113; Eh | ||||
2-Jan-2023 | /L1 S8_L1_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2498.07055135; Eh | ||||
2-Jan-2023 | /L1 S9_L1_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2644.65495371; Eh | ||||
2-Jan-2023 | /L1 S9_L1_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2644.67304815; Eh | ||||
2-Jan-2023 | /L2_META S3_L2_META_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3332.09615171; Eh |
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