GENERAL INFO
| Title: | 6b_none_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199657 |
| 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 |
|---|---|---|---|
| -2.5967 | -1.0894 | -0.8017 | 2.9278 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -217.9150 | -190.2796 | -201.0879 | -1.1338 | -11.0435 | 4.3092 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -2.9751 | -1.1241 | -0.5475 | 3.2272 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -221.9842 | -188.3370 | -203.3439 | -3.2337 | -9.0072 | 2.0792 |
Report data
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