GENERAL INFO
| Title: | 8b_9b_TSS_CH2_none_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199546 |
| Program: | Gaussian 09 EM64L-G09RevB.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 |
|---|---|---|---|
| 7.5768 | 2.4057 | 1.7722 | 8.1447 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -224.0201 | -209.8935 | -200.6787 | 0.5783 | 3.5450 | 5.2523 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 7.5768 | 2.4057 | 1.7722 | 8.1447 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -224.0201 | -209.8936 | -200.6787 | 0.5783 | 3.5450 | 5.2523 |
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