GENERAL INFO
| Title: | 36 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200897 |
| 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 |
|---|---|---|---|
| -4.2620 | -3.9946 | 3.8295 | 6.9847 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -96.7432 | -81.7272 | -89.1944 | 1.9545 | -4.0081 | -9.3506 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -5.4678 | -3.7181 | 3.9238 | 7.6888 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -94.2533 | -80.3188 | -90.8309 | 0.6397 | -5.0435 | -8.5074 |
Report data
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