Title: | /Rh/IV__trans MM3-17-trans-proximal-TS-MORE |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/27352 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Armengol i Relats, Helena |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
3.3170 | -8.1723 | -8.0540 | 11.9439 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-263.5405 | -275.2002 | -260.9017 | 2.5076 | -0.8818 | 17.1871 |