GENERAL INFO
| Title: | 5 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200944 |
| 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 |
|---|---|---|---|
| 3.0008 | -1.6231 | -1.4700 | 3.7149 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -86.9246 | -98.8594 | -94.8732 | 8.0185 | 0.4210 | 3.2863 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 2.7832 | -1.6066 | -1.5686 | 3.5760 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -87.8266 | -98.6099 | -94.6055 | 7.6198 | -0.1826 | 3.3058 |
Report data
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