Title: | 12R_1 |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195371 |
Program: | Gaussian 09 ES64L-G09RevD.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
-0.0964 | -0.3326 | -0.1707 | 0.3861 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-127.4973 | -127.6193 | -130.7662 | 0.3395 | 0.8751 | 0.9109 |