GENERAL INFO
| Title: | 6b_7b_TSS_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199638 |
| 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 |
|---|---|---|---|
| -8.3286 | 1.3325 | 0.3321 | 8.4411 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -203.5805 | -182.5717 | -203.8147 | 1.4384 | -14.6105 | 1.0992 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -8.3286 | 1.3325 | 0.3321 | 8.4411 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -203.5805 | -182.5717 | -203.8147 | 1.4384 | -14.6105 | 1.0992 |
Report data
This HTML file
