Title: | CH_free_ylide |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195012 |
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 |
---|---|---|---|
-2.8259 | -7.3180 | 0.0782 | 7.8451 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-57.0898 | -87.2394 | -75.4189 | -3.2085 | 0.9220 | -0.0063 |