JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37250131 -4315.38397409
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
1.3413 |
-8.4770 |
3.9473 |
9.4466 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-375.7158 |
-484.4768 |
-331.8179 |
157.8082 |
-85.3569 |
36.0281 |
Final Excitation Energies
no. |
Type |
Energy (eV) |
Wavelength (nm) |
Osc. |
s^2 |
Orbitals |
Final Excitation Energies
no. |
Type |
Energy (eV) |
Wavelength (nm) |
Osc. |
s^2 |
Orbitals |
Electronic coupling for Excitation Energy Transfer
Fragment |
State |
w (eV) |
Fragment |
State |
w (eV) |
Total coupling (eV) |