Title: | /models_type3/species_2b doublet_sv-p |
Browse item: | https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/234 |
Program: | Gaussian 09 ES64L-G09RevD.01 |
Author: | Mariusz, Radon |
Formula: | C49H71FeN10O17S2 |
Calculation type: | Geometry optimization Minimum |
Method(s): | UB3LYP - Grimme-D3(BJ) |
Charge / Multiplicity: | -2 2 |
Full point group | C1 | NOp | 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | UFF |
Solvent | Water |
Eps= 78.355300 | |
Eps(inf)= 1.777849 |