GENERAL INFO
| Title: | /S8F/S8F_sp f8_1int3oa |
| Browse item: | https://iochem-bd.urv.es:443/browse/handle/100/3317 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Villares, Mario |
| Formula: | C9H6FOS8 |
| 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: | -3707.49058477 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -3707.4905848 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -15.6937 | 9.9407 | -0.0781 | 18.5773 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -265.3472 | -179.8998 | -173.3795 | 32.3706 | 19.6507 | -2.8588 |
Report data
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