GENERAL INFO
| Title: | /AB-DB Aminoglycosides - Paromomycin +4 Aminoglycosides - Paromomycin +4 elec-pot |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/500743 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Hospital Gasch, Adam: Malloci, Giuliano: Gervasoni, Silvia |
| Formula: | C23H49N5O14 |
| Calculation type: | Single point Structure |
| Method(s): | #B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 4 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -2231.52253934 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -2231.5225393 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 1.7938 | -1.9708 | -16.5198 | 16.7333 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| 157.9877 | -33.4577 | -151.5909 | 49.8847 | -17.0585 | 30.2967 |
Report data
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