GENERAL INFO
| Title: | 35 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200898 |
| Program: | Gaussian 09 AM64L-G09RevD.01 |
| Author: | Laconsay, Croix |
| Formula: | |
| Calculation type: | Single point Structure |
| Method(s): | RM062X |
MOLECULAR INFO
| Charge / Multiplicity: |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -1.9211 | -3.7176 | 3.0249 | 5.1634 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -87.8557 | -72.7603 | -79.5173 | -1.7721 | -1.4110 | -9.9322 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -1.8896 | -3.9837 | 4.0318 | 5.9745 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -84.0612 | -74.0863 | -82.2433 | -2.1622 | -1.9328 | -8.5618 |
Report data
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