GENERAL INFO
| Title: | /reac_prod_actspec_cyc/sp S8 |
| Browse item: | https://iochem-bd.urv.es:443/browse/handle/100/3430 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Villares, Mario |
| Formula: | S8 |
| Calculation type: | Single point Structure |
| Method(s): | RwB97XD |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Full point group
| Full point group | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -3185.74116907 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -3185.7411691 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.0004 | 0.0003 | 0.0004 | 0.0006 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -101.1395 | -101.1415 | -102.8609 | 0.0004 | -0.0003 | 0.0004 |
Report data
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