Title: | DD_Rh_unbound_rearrangement_product |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/194982 |
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 |
---|---|---|---|
-0.9143 | 1.2504 | -1.3735 | 2.0703 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-281.2250 | -255.5096 | -256.2991 | 9.1054 | 12.3100 | -1.2757 |