Title: | 6c_7c_TSS_iPrOH_iPrOH |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199635 |
Program: | Gaussian 09 AM64L-G09RevD.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
4.8549 | -1.5842 | -1.7631 | 5.4026 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-189.4682 | -191.6321 | -204.2064 | -0.4930 | 7.3469 | 1.1259 |