GENERAL INFO
| Title: | 4_prime |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200943 |
| 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 |
|---|---|---|---|
| -0.0536 | -3.7484 | -0.5183 | 3.7845 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -96.2806 | -92.6320 | -90.5961 | 6.3192 | -0.8352 | -2.6481 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 0.0776 | -3.5757 | -0.0512 | 3.5769 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -96.6669 | -93.8195 | -88.9198 | 5.7425 | -0.4527 | -2.4676 |
Report data
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