GENERAL INFO
| Title: | /cyc//cyc ox2 s_cyc_34_34_2_101-011 |
| Browse item: | https://iochem.udg.edu:8443/browse/handle/100/3428 |
| Program: | Gaussian 16 ES64L-G16RevC.01 |
| Author: | Blancafort, Lluís |
| Formula: | C16H6N2O4 |
| Calculation type: | Geometry optimization Minimum |
| Method(s): | RCAM-B3LYP TD-FC |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Full point group
| Full point group | C1 | NOp | 1 |
Polarizable Continuum Model (PCM)
| Model: | PCM |
| Atomic radii | SMD-Coulomb. |
| Solvent | Water |
| Eps= 78.355300 | |
| Eps(inf)= 1.777849 |
