GENERAL INFO
| Title: | 7c_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199619 |
| 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 |
|---|---|---|---|
| -10.3215 | 5.4703 | -0.3559 | 11.6869 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -195.3201 | -178.8634 | -207.2980 | 8.9834 | 4.3912 | 6.3571 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -11.2891 | 3.8063 | -0.3112 | 11.9176 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -192.8530 | -178.6130 | -206.2697 | 11.4102 | 7.8166 | 8.4346 |
Report data
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