Title: | D_free_ylide_rearrangement_product |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/194991 |
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 |
---|---|---|---|
0.1853 | -0.2159 | 1.5849 | 1.6102 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-100.3709 | -107.9044 | -112.8765 | 0.8061 | 3.9938 | -4.9644 |