Title: | DD_Rh_unbound_ylide |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/194983 |
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 |
---|---|---|---|
6.3702 | -2.4824 | 0.3706 | 6.8468 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-265.3488 | -250.9863 | -264.1703 | -13.9224 | 16.5950 | -1.6424 |