GENERAL INFO
| Title: | 9a_CH2_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199583 |
| 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 |
|---|---|---|---|
| -11.3743 | -2.7696 | 2.5889 | 11.9895 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -179.6442 | -191.3226 | -194.3545 | 21.9398 | -30.2569 | -3.6332 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -6.5980 | -1.4796 | -0.7385 | 6.8021 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -200.9551 | -184.2988 | -199.9390 | -1.4357 | -16.4530 | 1.5022 |
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