GENERAL INFO
| Title: | 45 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200889 |
| 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 |
|---|---|---|---|
| 0.7448 | -1.7619 | 5.3711 | 5.7016 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -72.4541 | -67.0360 | -79.2967 | 4.5307 | -0.1479 | -3.5436 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.5656 | -1.2554 | 4.8713 | 5.0621 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -79.5707 | -63.8266 | -77.7959 | 3.4406 | -0.1658 | -5.3629 |
Report data
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