GENERAL INFO
| Title: | /Au_Ch TSXIIIb-XIVb |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/27345 |
| Program: | Gaussian 09 EM64L-G09RevD.01 |
| Author: | Armengol i Relats, Helena |
| 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 |
|---|---|---|---|
| -8.0886 | -11.3108 | -1.6571 | 14.0038 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -230.9424 | -306.6404 | -280.0540 | -23.1417 | -1.7177 | 8.2097 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -8.0886 | -11.3108 | -1.6571 | 14.0038 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -230.9426 | -306.6404 | -280.0541 | -23.1418 | -1.7176 | 8.2098 |
Report data
This HTML file
