GENERAL INFO
| Title: | N₂_(SP) |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/54312 |
| Program: | Gaussian 16 AM64L-G16RevA.03 |
| Author: | Sharma, Akhilesh Kumar |
| Formula: | N2 |
| Calculation type: | Single point Structure |
| Method(s): | RB3LYP |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Full point group
| Full point group | D*H | NOp | 8 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -109.569019048 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -109.569019 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.0000 | 0.0000 | -0.0000 | 0.0000 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -10.1588 | -10.1588 | -11.7956 | -0.0000 | 0.0000 | -0.0000 |
Report data
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