GENERAL INFO
| Title: | /reac_prod_actspec_cyc/sp fs8_l |
| Browse item: | https://iochem-bd.urv.es:443/browse/handle/100/3440 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Villares, Mario |
| Formula: | FS8 |
| Calculation type: | Single point Structure |
| Method(s): | RwB97XD |
MOLECULAR INFO
| Charge / Multiplicity: | -1 1 |
Full point group
| Full point group | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -3285.71707282 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -3285.7170728 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 2.4616 | 5.3284 | -0.0719 | 5.8700 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -135.6490 | -129.4233 | -118.4388 | 0.5913 | 6.3261 | -3.8402 |
Report data
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