GENERAL INFO
| Title: | NH2_prot_amine |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200932 |
| Program: | Gaussian 09 AM64L-G09RevD.01 |
| Author: | Laconsay, Croix |
| Formula: | |
| Calculation type: | Single point Structure |
| Method(s): | RM062X |
MOLECULAR INFO
| Charge / Multiplicity: |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 4.3587 | -5.3232 | 3.9704 | 7.9435 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -69.5856 | -70.6260 | -67.2565 | 9.6279 | -2.9848 | -5.9356 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 4.1372 | -5.2911 | 3.9955 | 7.8151 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -69.4643 | -71.0681 | -67.2925 | 9.3871 | -2.7840 | -5.7941 |
Report data
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