Title: | c60znttp-acceptor-n+1 |
Browse item: | https://iochem.udg.edu:8443/browse/handle/100/4053 |
Program: | Gaussian 16 ES64L-G16RevA.03 |
Author: | Besalú-Sala, Pau |
Formula: | C60 |
Calculation type: | Single point Structure |
Method(s): | UCAM-B3LYP |
Charge / Multiplicity: | -1 2 |
Energy | Value | Units |
---|---|---|
SCF Done: | -2283.39359247 | Eh |
Energy | Value | Units |
---|---|---|
HF | -2283.3935925 | Eh |
X | Y | Z | Total |
---|---|---|---|
-0.0000 | -0.0001 | -0.0000 | 0.0001 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-362.3703 | -367.2104 | -367.2084 | -0.1007 | 0.1300 | -0.0155 |