Title: | CH_Rh_bound_rearrangement_product |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195015 |
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 |
---|---|---|---|
-0.5426 | -1.3383 | -1.7419 | 2.2627 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-217.0790 | -183.6146 | -191.9600 | 14.7033 | 4.1225 | 2.0586 |