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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Feb-2018 | VCo4_S4_freq | Poblet, Josep M. | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Structure | UB3LYP | - | -7291.27296114; Eh | |||
 | 16-Feb-2018 | PCo4_S0_freq | Poblet, Josep M. | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Structure | UB3LYP | lanl2dz; 6-31g(d,p); 6-31g | -7087.46610517; Eh | |||
 | 16-Feb-2018 | PCo4_S0_opt | Poblet, Josep M. | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | lanl2dz; 6-31g(d,p); 6-31g | -7087.46610518; Eh | |||
 | 16-Feb-2018 | VCo4_S1_opt | Poblet, Josep M. | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Minimum | UB3LYP | lanl2dz; 6-31g(d,p); 6-31g | -7216.75887992; Eh | |||
 | 16-Feb-2018 | VCo4_S1_freq | Poblet, Josep M. | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Structure | UB3LYP | - | -7216.75887995; Eh |
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