GENERAL INFO
| Title: | /AB-DB Aminoglycosides - Tobramycin +5 Aminoglycosides - Tobramycin +5 elec-pot |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/500603 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Hospital Gasch, Adam: Malloci, Giuliano: Gervasoni, Silvia |
| Formula: | C18H42N5O9 |
| Calculation type: | Single point Structure |
| Method(s): | #B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 5 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1659.99162953 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1659.9916295 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -21.9389 | 7.9522 | -2.6829 | 23.4893 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -3.2697 | 68.8247 | -44.8043 | -25.6822 | -4.8750 | -9.9808 |
Report data
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