GENERAL INFO
| Title: | /AB-DB Aminoglycosides - Arbekacin +5 Aminoglycosides - Arbekacin +5 elec-pot |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/500291 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Hospital Gasch, Adam: Malloci, Giuliano: Gervasoni, Silvia |
| Formula: | C22H49N6O10 |
| Calculation type: | Single point Structure |
| Method(s): | #B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 5 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1946.74946941 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1946.7494694 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 2.7680 | 26.5351 | 1.2694 | 26.7093 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| 244.9246 | 8.1697 | -100.0248 | -51.2147 | 71.0088 | 9.9416 |
Report data
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