GENERAL INFO
| Title: | Rh(oac)4C(COOMe)(Ph) |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/54280 |
| Program: | Gaussian 16 AM64L-G16RevA.03 |
| Author: | Sharma, Akhilesh Kumar |
| Formula: | C17H20O10Rh2 |
| Calculation type: | Single point Structure |
| Method(s): | RB3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Full point group
| Full point group | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1633.48174105 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1633.481741 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 7.2994 | -0.9780 | 2.1799 | 7.6804 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -174.5357 | -163.6162 | -186.1906 | -13.7650 | 6.5041 | 6.6104 |
Report data
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