Title: | 1 |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195346 |
Program: | Gaussian 09 ES64L-G09RevD.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
0.0833 | -0.1388 | 0.0520 | 0.1700 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-128.2207 | -127.1866 | -130.7118 | 1.1319 | 0.5493 | 1.2407 |