GENERAL INFO
| Title: | RR-int10_10 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/478629 |
| Program: | Gaussian 16 ES64L-G16RevC.01 |
| Author: | Fernandez, Gilberto |
| Formula: | C36H42NO8PdNa |
| Calculation type: | Single point Structure |
| Method(s): | RMN15 |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -2342.23598744 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -2342.2359874 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 2.4238 | 1.9075 | 2.6216 | 4.0480 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -274.2531 | -270.5595 | -285.1588 | -1.3161 | -17.4133 | -9.9824 |
Report data
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