Title: | CH_Rh_bound_rearrangement_TSS |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195014 |
Program: | Gaussian 09 EM64L-G09RevB.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | UB3LYP |
Charge / Multiplicity: | 0 1 |
X | Y | Z | Total |
---|---|---|---|
9.1955 | 4.2056 | 2.6404 | 10.4507 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-187.3403 | -173.0995 | -199.8568 | 1.2349 | 14.6629 | 0.4886 |