GENERAL INFO
| Title: | II_m062x |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/100687 |
| Program: | Gaussian 16 ES64L-G16RevC.01 |
| Author: | Li, Yingzi |
| Formula: | C20H27IO4 |
| Calculation type: | Single point Structure |
| Method(s): | RM062X |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1376.87599797 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1376.875998 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 0.3265 | 5.1460 | -2.2973 | 5.6449 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -153.9928 | -163.3410 | -174.3408 | 3.7192 | 0.1149 | -0.0540 |
Report data
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