GENERAL INFO
| Title: | 21c__m06 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/100082 |
| Program: | Gaussian 16 AM64L-G16RevA.03 |
| Author: | Li, Yingzi |
| Formula: | C12H26O5Sn |
| 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: | -852.041982438 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -852.0419824 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 0.7648 | 1.5535 | -0.1670 | 1.7396 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -119.6876 | -112.7921 | -121.8607 | 1.5424 | -0.8725 | 4.0407 |
Report data
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