GENERAL INFO
| Title: | /clnanographene/c24h12/sp/Cl1_c24h12 Cl1_c24h12 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/490690 |
| Program: | Gaussian 16 ES64L-G16RevC.02 |
| Author: | Charapale, Omkar |
| Formula: | C24H12Cl |
| Calculation type: | Single point Structure |
| Method(s): | RMN15 |
MOLECULAR INFO
| Charge / Multiplicity: | -1 1 |
Full point group
| Full point group | C6V | NOp | 12 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1381.22383012 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1381.2238301 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.0000 | -0.0000 | -10.4714 | 10.4714 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -149.6734 | -149.6734 | -201.9418 | 0.0000 | 0.0000 | 0.0000 |
Report data
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