GENERAL INFO
| Title: | /AB-DB Macrolides - Solithromycin +1 Macrolides - Solithromycin +1 elec-pot |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/500732 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Hospital Gasch, Adam: Malloci, Giuliano: Gervasoni, Silvia |
| Formula: | C43H66FN6O10 |
| Calculation type: | Single point Structure |
| Method(s): | #B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 1 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -2858.77343956 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -2858.7734396 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 41.2134 | -14.0401 | 4.4842 | 43.7696 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -9.6011 | -282.0443 | -338.7393 | -148.8231 | 5.7283 | -23.1617 |
Report data
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