GENERAL INFO
| Title: | P_Cl_TPSSh |
| Browse item: | https://iochem.udg.edu:8443/browse/handle/100/535 |
| Program: | Gaussian 09 AM64L-G09RevC.01 |
| Author: | Stanczak, Agnieszka |
| Formula: | |
| Calculation type: | Single point Structure |
| Method(s): | UTPSSh |
MOLECULAR INFO
| Charge / Multiplicity: |
JOB |
Energies
Spin
Mulliken atomic spin densities
S^2
S**2 before annihilation = 0.7539Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -1.9280 | 9.4104 | -9.0525 | 13.1993 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -291.8142 | 201.9847 | 704.8754 | -109.4533 | 164.6863 | -784.1037 |
Report data
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