GENERAL INFO
| Title: | 9b_CH2_none_ACN |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199585 |
| 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 |
|---|---|---|---|
| 7.0085 | -2.4794 | -0.2122 | 7.4371 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -157.9067 | -194.3474 | -199.3249 | -7.8566 | 7.6804 | -2.7393 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 7.0085 | -2.4794 | -0.2122 | 7.4372 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -157.9068 | -194.3475 | -199.3249 | -7.8566 | 7.6804 | -2.7393 |
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