GENERAL INFO
| Title: | Rh(oac)4C(COOMe)(IAr+) |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/54282 |
| Program: | Gaussian 16 AM64L-G16RevA.03 |
| Author: | Sharma, Akhilesh Kumar |
| Formula: | C19H22IO12Rh2 |
| Calculation type: | Single point Structure |
| Method(s): | RB3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 1 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -2157.01154380 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -2157.0115438 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -8.1528 | 1.5710 | -0.2639 | 8.3070 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -167.3021 | -198.0065 | -214.3473 | 29.5854 | -12.7152 | 18.4802 |
Report data
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