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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_TPSSh_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2TZVP | -2832.38207813; 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 |
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