GENERAL INFO
| Title: | 6b_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199654 |
| 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 |
|---|---|---|---|
| -3.7105 | 1.2855 | -0.0837 | 3.9277 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -206.1125 | -185.4355 | -203.4184 | 5.3297 | -13.5261 | -1.8185 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -4.4211 | -1.0548 | -0.8695 | 4.6277 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -218.4643 | -188.2090 | -197.6016 | 3.3847 | -16.0965 | 4.4990 |
Report data
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