Title: | W_Rh_unbound_ylide |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195009 |
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 |
---|---|---|---|
0.3081 | -2.7471 | 1.0704 | 2.9643 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-273.8047 | -241.0186 | -250.3747 | 8.3860 | 7.2320 | 7.7129 |