Title: | /C6F5_Bpin/Bpin_real/large_basis_sets F-Bpin |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/43183 |
Program: | Gaussian 16 ES64L-G16RevA.03 |
Author: | Jover Modrego, Jesús |
Formula: | C6H12BFO2 |
Calculation type: | Single point Structure |
Method(s): | RB3LYP - Grimme-D3 |
Charge / Multiplicity: | 0 1 |
Model: | PCM |
Atomic radii | SMD-Coulomb. |
Solvent | n,n-DiMethylFormamide |
Eps= 37.219000 | |
Eps(inf)= 2.046330 |