GENERAL INFO
| Title: | /AB-DB Aminocoumarins - Ribostamycin +3 Aminocoumarins - Ribostamycin +3 elec-pot |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/500391 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Hospital Gasch, Adam: Malloci, Giuliano: Gervasoni, Silvia |
| Formula: | C17H37N4O10 |
| Calculation type: | Single point Structure |
| Method(s): | #B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 3 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1640.43894485 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1640.4389448 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -7.4595 | 0.5748 | 2.4104 | 7.8603 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -54.6729 | -34.5311 | -107.6351 | 10.3377 | 24.6904 | -13.5986 |
Report data
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