Title: | 7b_iPrOH_none |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199627 |
Program: | Gaussian 09 EM64L-G09RevB.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
-3.1963 | -2.8626 | -2.1147 | 4.7836 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-159.8464 | -170.0084 | -192.5989 | 3.2231 | 3.1236 | -5.7784 |