GENERAL INFO
| Title: | /clnanographene/c24h12/sp/Cl2_c24h12 Cl2_c24h12 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/490691 |
| 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 | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -1381.24090266 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -1381.2409027 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -21.7733 | 0.0003 | 0.0035 | 21.7733 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -303.1363 | -147.0072 | -162.1919 | 0.0020 | 0.0248 | 0.0002 |
Report data
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