GENERAL INFO
| Title: | /AB-DB Aminoglycosides - Tobramycin +4 Aminoglycosides - Tobramycin +4 elec-pot |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/500393 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Hospital Gasch, Adam: Malloci, Giuliano: Gervasoni, Silvia |
| Formula: | C18H41N5O9 |
| Calculation type: | Single point Structure |
| Method(s): | #B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 4 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1660.02743482 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1660.0274348 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -2.1245 | 0.4238 | -3.2732 | 3.9252 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| 85.7758 | -16.0709 | -114.7245 | -44.7603 | -27.2601 | -9.8538 |
Report data
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