Title: | 10_et_down_high_opt_d3bj |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/195367 |
Program: | Gaussian 09 AM64L-G09RevD.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
0.0803 | -0.1057 | 0.0174 | 0.1339 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-128.2060 | -126.6444 | -131.0599 | 1.2427 | -0.4592 | 0.1861 |