GENERAL INFO
| Title: | 8b_9b_TSS_CH2_none_ACN |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199597 |
| Program: | Gaussian 09 AM64L-G09RevD.01 |
| Author: | Laconsay, Croix |
| Formula: | |
| Calculation type: | Single point Structure |
| Method(s): | RB3LYP |
MOLECULAR INFO
| Charge / Multiplicity: |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 1.1918 | -1.4737 | 1.2376 | 2.2636 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -142.8660 | -196.8306 | -192.1965 | 0.1301 | -4.6578 | -6.1785 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 1.1918 | -1.4737 | 1.2376 | 2.2636 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -142.8660 | -196.8306 | -192.1966 | 0.1302 | -4.6578 | -6.1785 |
Report data
This HTML file
