Title: | A_Rh_unbound_ylide |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/194989 |
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 |
---|---|---|---|
9.6743 | 0.1269 | -1.4211 | 9.7790 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-213.5915 | -211.7047 | -218.4406 | -14.3971 | -6.6056 | -11.5732 |