GENERAL INFO
| Title: | /noDisp/complexes sin-corhh2o5 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/15655 |
| Program: | Gaussian 09 EM64L-G09RevD.01 |
| Author: | Besora, Maria |
| Formula: | C 1 H 10 O 6 Rh 1 |
| Calculation type: | Single point Structure |
| Method(s): | B3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 3 1 |
Full point group
| Full point group | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -604.878115540 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -604.8781155 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -2.4876 | 0.3586 | 0.2664 | 2.5274 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -21.8803 | -17.0041 | -13.5754 | -0.0950 | -0.1267 | 2.2100 |
Report data
This HTML file
