GENERAL INFO
| Title: | /clnanographene/c96h24/sp/Cl4_c96h24 Cl4_c96h24 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/490735 |
| Program: | Gaussian 16 ES64L-G16RevC.02 |
| Author: | Charapale, Omkar |
| Formula: | C96H24Cl |
| 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: | -4130.18874739 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -4130.1887474 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -15.2322 | 0.0135 | -9.8124 | 18.1191 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -644.6725 | -540.2793 | -602.7731 | 0.0015 | -64.9055 | 0.0302 |
Report data
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