GENERAL INFO
| Title: | 44 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200890 |
| 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 |
|---|---|---|---|
| -2.7450 | 1.9977 | -2.4797 | 4.2041 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -115.1097 | -90.2281 | -110.1636 | 1.7392 | -2.6659 | -0.5853 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -2.7454 | 1.9979 | -2.4800 | 4.2047 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -115.1118 | -90.2274 | -110.1640 | 1.7408 | -2.6632 | -0.5846 |
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