GENERAL INFO
| Title: | 19 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200908 |
| 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 |
|---|---|---|---|
| -2.7437 | -1.6244 | 2.3312 | 3.9498 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -92.5864 | -106.3534 | -104.1341 | -6.4015 | 1.8703 | -4.2547 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -2.6963 | -1.6402 | 2.1564 | 3.8223 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -93.6479 | -107.7246 | -102.7178 | -6.4995 | 1.7970 | -3.1749 |
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