GENERAL INFO
| Title: | 7a_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199625 |
| 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 |
|---|---|---|---|
| -1.7778 | 2.3035 | 1.1397 | 3.1250 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -169.9074 | -161.7060 | -189.7643 | 10.7488 | 8.8837 | -1.9637 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -5.6662 | 2.1602 | 1.8494 | 6.3398 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -178.8563 | -157.3432 | -187.0366 | 8.9727 | 8.9252 | -0.2878 |
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