Title: | W_Rh_unbound_ylide_TSS |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195086 |
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 |
---|---|---|---|
-1.5345 | -0.4488 | 0.9838 | 1.8772 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-254.7723 | -247.2969 | -247.9673 | -12.1337 | 0.7069 | 8.6851 |