GENERAL INFO
| Title: | 7b_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199622 |
| 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 |
|---|---|---|---|
| -6.9297 | -1.1498 | -1.8494 | 7.2638 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -162.0460 | -172.4758 | -200.8912 | 25.2270 | 15.1160 | -2.4283 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -9.9308 | 1.1759 | -3.4891 | 10.5913 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -169.8770 | -168.3635 | -201.2982 | 23.9432 | 18.3256 | -0.8922 |
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