GENERAL INFO
| Title: | 8a_9a_TSS_CH3_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199569 |
| 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 |
|---|---|---|---|
| -6.7463 | -0.8144 | 2.8892 | 7.3840 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -203.9677 | -194.0542 | -191.3054 | -12.6808 | 0.9926 | 6.2602 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -6.7463 | -0.8144 | 2.8892 | 7.3840 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -203.9677 | -194.0542 | -191.3054 | -12.6808 | 0.9926 | 6.2602 |
Report data
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