GENERAL INFO
| Title: | 7b_DCM_none |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199628 |
| Program: | Gaussian 09 AM64L-G09RevD.01 |
| Author: | Laconsay, Croix |
| Formula: | |
| Calculation type: | Single point Structure |
| Method(s): | RB3LYP |
MOLECULAR INFO
| Charge / Multiplicity: |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 8.9608 | 0.7617 | 1.1337 | 9.0643 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -187.0670 | -178.6227 | -198.0694 | -13.2655 | 3.6449 | 5.0279 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 8.9609 | 0.7617 | 1.1337 | 9.0644 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -187.0670 | -178.6227 | -198.0694 | -13.2657 | 3.6449 | 5.0279 |
Report data
This HTML file
