GENERAL INFO
| Title: | 8b_9b_TSS_CH2_ACN_ACN |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199593 |
| Program: | Gaussian 09 AM64L-G09RevD.01 |
| Author: | Laconsay, Croix |
| Formula: | |
| Calculation type: | Single point Structure |
| Method(s): | RB3LYP |
MOLECULAR INFO
| Charge / Multiplicity: |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.8681 | -2.2254 | 2.9056 | 3.7614 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -124.8828 | -193.3132 | -184.9889 | 0.4930 | -8.0704 | -7.8844 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.8681 | -2.2254 | 2.9056 | 3.7614 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -124.8829 | -193.3132 | -184.9889 | 0.4930 | -8.0704 | -7.8844 |
Report data
This HTML file
