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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2021 | SCO_OLYP_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2642.17432260; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2642.17927699; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S17_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2444.38628989; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2803.72040212; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2803.71769118; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3237.94208514; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UBLYP | DEF2TZVP | -2290.47977684; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UBLYP | DEF2TZVP | -2290.48396690; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3237.96933813; Eh | |||
| 27-Sep-2021 | SCO_SO_LowSpin_2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -1969.26365308; Eh |
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