Molecule | Electric dipole moment (D) | Polarizabilities (Ã…) | Ionization potentials (ev) | |||||
---|---|---|---|---|---|---|---|---|
 | μx | μy | μtot | αxx | αyy | αzz | αxy | IP |
Thiophene | 0.0000 | -0.5169 | 0.5169 | 67.093 | 73.851 | 41.017 | 0.012 | 8.75 |
A | 1.2229 | -1.1156 | 1.6553 | 83.379 | 90.474 | 45.543 | -0.424 | 8.53 |
B | 0.4885 | -1.3293 | 1.4162 | 73.843 | 99.340 | 45.713 | 0.914 | 8.77 |
C | 2.0522 | -0.6022 | 2.1388 | 105.378 | 99.760 | 50.761 | 1.770 | 8.56 |
D | -0.0085 | -0.6768 | 0.6768 | 118.479 | 89.726 | 50.349 | 5.704 | 8.58 |
E | -0.0014 | -1.1668 | 1.1668 | 124.387 | 85.513 | 50.238 | 0.006 | 8.38 |
F | 1.9947 | -0.3062 | 2.0181 | 113.075 | 91.086 | 50.781 | -3.497 | 9.00 |
G | 0.2028 | -1.8053 | 1.8166 | 123.767 | 114.854 | 56.216 | 6.267 | 8.66 |
H | -0.3414 | -0.6487 | 0.7331 | 117.232 | 125.636 | 55.339 | 14.351 | 8.44 |
I | 0.7756 | -0.6432 | 1.0077 | 135.731 | 138.834 | 61.933 | 7.424 | 8.50 |