GENERAL INFO
| Title: | i90 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/193015 |
| Program: | Gaussian 09 ES64L-G09RevD.01 |
| Author: | Galvao, Tiago |
| 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 |
|---|---|---|---|
| 7.1016 | -3.3405 | 2.0105 | 8.1015 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -210.3203 | -186.1998 | -183.6190 | -33.8890 | -17.6417 | 5.6208 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 7.8033 | -2.7973 | -3.8095 | 9.1230 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -203.5055 | -186.3054 | -177.1304 | 9.3496 | -13.0507 | 4.6463 |
Report data
This HTML file
