GENERAL INFO
| Title: | /noDisp/complexes sin-nh3rhh2o5 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/15470 |
| Program: | Gaussian 09 EM64L-G09RevD.01 |
| Author: | Besora, Maria |
| Formula: | H 13 N 1 O 5 Rh 1 |
| Calculation type: | Single point Structure |
| Method(s): | RB3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 3 1 |
Full point group
| Full point group | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -548.176889139 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -548.1768891 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -1.1885 | -0.3390 | 0.5873 | 1.3684 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -13.9932 | -11.5216 | -10.7169 | -1.3298 | 0.9167 | 0.8188 |
Report data
This HTML file
