GENERAL INFO
| Title: | 7b_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199630 |
| 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 |
|---|---|---|---|
| 8.9659 | -1.3872 | -2.0524 | 9.3018 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -147.2177 | -140.2087 | -166.6485 | -12.5683 | -3.9383 | -4.0608 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 9.5244 | -1.5928 | -2.1627 | 9.8959 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -144.7695 | -138.7090 | -168.0405 | -12.0800 | -6.3787 | -5.4015 |
Report data
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