GENERAL INFO
| Title: | 8c_9c_TSS_CH2_DCM_DCM |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199596 |
| 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 |
|---|---|---|---|
| -9.8059 | 0.9894 | 7.8933 | 12.6270 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -228.4404 | -219.7389 | -203.8324 | 5.3536 | 2.3394 | 0.7953 |
JOB |
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -9.8059 | 0.9894 | 7.8933 | 12.6269 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -228.4404 | -219.7389 | -203.8324 | 5.3536 | 2.3394 | 0.7953 |
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