Title: | A_Rh_bound_rearrangement_TSS |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/194986 |
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 |
---|---|---|---|
4.2651 | -1.8994 | -1.3526 | 4.8609 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-231.5755 | -209.4080 | -212.3870 | -14.3468 | -0.0255 | -7.7114 |