Title: | TS(C-E) |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195359 |
Program: | Gaussian 09 EM64L-G09RevB.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: | 1 1 |
X | Y | Z | Total |
---|---|---|---|
-10.6868 | 1.2466 | 0.8275 | 10.7910 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-64.7341 | -111.4269 | -118.2544 | -5.2426 | -0.8889 | 0.6765 |