Table 5. Polarizability with Major Contributing Tensor (au) and Dipole Moments of the Compounds.
polarizability | CPFH | CCPH | BCPH |
---|---|---|---|
αxx | 288.066 | 296.872 | 301.461 |
αyy | 223.919 | 244.863 | 254.400 |
αzz | 81.109 | 84.086 | 87.390 |
αtotal | 197.698 | 208.607 | 214.417 |
dipole moments | CPFH | CCPH | BCPH |
---|---|---|---|
μx | –2.0517 | –2.2320 | –2.3467 |
μy | –0.7495 | –1.1932 | 0.8968 |
μz | 0.0030 | 0.0001 | –0.0003 |
μtotal | 2.184 | 2.531 | 2.512 |