GENERAL INFO
| Title: | /noDisp/complexes sin-fznch3 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/15604 |
| Program: | Gaussian 09 EM64L-G09RevD.01 |
| Author: | Besora, Maria |
| Formula: | C 1 H 3 F 1 Zn 1 |
| Calculation type: | Single point Structure |
| Method(s): | RB3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Full point group
| Full point group | CS | NOp | 2 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -366.945346830 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -366.9453468 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.0011 | -3.0939 | 0.0000 | 3.0939 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -24.4092 | -33.7175 | -24.4092 | -0.0028 | 0.0000 | 0.0000 |
Report data
This HTML file
