GENERAL INFO
| Title: | 3_m06 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/114297 |
| Program: | Gaussian 16 AM64L-G16RevA.03 |
| Author: | Li, Yingzi |
| Formula: | C24H35NO3 |
| Calculation type: | Single point Structure |
| Method(s): | RM06 |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1215.68432985 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1215.6843298 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 1.7164 | -2.8238 | -1.4717 | 3.6174 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -161.1160 | -149.6326 | -180.8765 | -0.9229 | 9.3291 | 6.2524 |
Report data
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