GENERAL INFO
| Title: | 9 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200920 |
| 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 |
|---|---|---|---|
| -0.3575 | 0.9204 | -0.8220 | 1.2848 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -74.9267 | -76.4728 | -81.2845 | -0.5517 | 0.0019 | 3.8900 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.1428 | 0.9566 | -0.9655 | 1.3667 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -75.1643 | -75.9618 | -81.8857 | -0.6887 | 0.6780 | 3.6598 |
Report data
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