GENERAL INFO
| Title: | 6c_7c_TSS_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199636 |
| 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 |
|---|---|---|---|
| -9.0607 | 2.8312 | -1.5239 | 9.6143 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -220.3071 | -201.2958 | -205.4886 | 0.5061 | -8.2533 | -2.2378 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -9.0607 | 2.8312 | -1.5239 | 9.6143 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -220.3071 | -201.2959 | -205.4886 | 0.5061 | -8.2533 | -2.2378 |
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