Title: | m1 |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/1339 |
Program: | Gaussian 09 EM64L-G09RevA.02 |
Author: | García Muelas, Rodrigo |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: | 0 1 |
X | Y | Z | Total |
---|---|---|---|
1.4200 | 1.0850 | 0.0000 | 1.7870 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-11.8594 | -13.4953 | -13.9248 | -2.2660 | 0.0000 | 0.0000 |