GENERAL INFO
| Title: | c4h9nh2 |
| Browse item: | https://iochem.udg.edu:8443/browse/handle/100/3971 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Besalú-Sala, Pau |
| Formula: | C4H11N |
| Calculation type: | Single point Structure |
| Method(s): | RHF |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -212.348819333 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -212.3488193 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -1.0950 | 0.7955 | -0.0604 | 1.3548 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -34.2880 | -35.2159 | -33.7237 | 1.7985 | 3.0510 | -1.9567 |
Report data
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