GENERAL INFO
| Title: | 4 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200945 |
| 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 |
|---|---|---|---|
| 0.7544 | -2.2037 | -1.0942 | 2.5734 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -96.5674 | -95.1057 | -94.5731 | 5.0034 | 1.5353 | 3.5609 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 0.7757 | -2.1255 | -1.0934 | 2.5129 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -96.4325 | -94.9869 | -94.4761 | 4.9964 | 1.5188 | 3.3842 |
Report data
This HTML file
