Title: | TS2-3a |
Browse item: | https://iochem-bd.urv.es:443/browse/handle/100/660 |
Program: | Gaussian 16 ES64L-G16RevA.03 |
Author: | Solé-Daura, Albert |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RwB97XD |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
20.5254 | 13.1848 | -10.9944 | 26.7584 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-697.9507 | -761.0853 | -780.2080 | 56.3411 | -16.4708 | -5.8708 |