GENERAL INFO
| Title: | 3‘ |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/114326 |
| 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: | -1215.66630566 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1215.6663057 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -1.0792 | 4.0260 | 3.0072 | 5.1397 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -152.3217 | -159.9463 | -184.0203 | -4.0399 | -3.7988 | 7.1712 |
Report data
This HTML file
