GENERAL INFO
| Title: | int1e |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/114517 |
| Program: | Gaussian 16 AM64L-G16RevA.03 |
| Author: | Li, Yingzi |
| Formula: | C14H8Cl4O2Zn2 |
| Calculation type: | Single point Structure |
| Method(s): | RM06 |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Full point group
| Full point group | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -6088.33523141 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -6088.3352314 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 0.0002 | 8.7398 | -0.0102 | 8.7398 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -243.5277 | -162.3219 | -169.3054 | -0.0391 | -0.4440 | 0.0246 |
Report data
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