GENERAL INFO
| Title: | int1_DCM |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/114518 |
| Program: | Gaussian 16 AM64L-G16RevA.03 |
| Author: | Li, Yingzi |
| Formula: | C16H12Cl8O2Zn2 |
| 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: | -8007.70375947 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -8007.7037595 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 2.3099 | 9.0800 | -4.8490 | 10.5496 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -276.9808 | -180.5115 | -257.1494 | -10.2576 | 16.6290 | 4.9769 |
Report data
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