GENERAL INFO
| Title: | /AB-DB Aminoglycosides - Paromomycin +5 Aminoglycosides - Paromomycin +5 elec-pot |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/499995 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Hospital Gasch, Adam: Malloci, Giuliano: Gervasoni, Silvia |
| Formula: | C23H50N5O14 |
| Calculation type: | Single point Structure |
| Method(s): | #B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 5 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -2231.56854776 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -2231.5685478 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -11.5368 | 18.1385 | 16.0243 | 26.8119 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| 239.8796 | -0.4892 | -103.7882 | -29.5455 | 17.9928 | 67.4987 |
Report data
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