Title: | A_Rh_unbound_rearrangement_TSS |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/194988 |
Program: | Gaussian 09 EM64L-G09RevB.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | UB3LYP |
Charge / Multiplicity: | 0 1 |
X | Y | Z | Total |
---|---|---|---|
-7.1384 | 0.4292 | 1.2627 | 7.2619 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-215.5473 | -205.6665 | -218.9044 | -0.2226 | -13.3873 | 2.5557 |