GENERAL INFO
| Title: | /AB-DB Aminocoumarins - Plazomicin +5 Aminocoumarins - Plazomicin +5 elec-pot |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/500595 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Hospital Gasch, Adam: Malloci, Giuliano: Gervasoni, Silvia |
| Formula: | C25H53N6O10 |
| Calculation type: | Single point Structure |
| Method(s): | #B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 5 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -2063.49451637 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -2063.4945164 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 14.2343 | 2.3539 | 4.3682 | 15.0744 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| 218.7096 | 110.2258 | -169.2648 | 82.5802 | -9.8921 | -8.3276 |
Report data
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