JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37626674 -4315.38053640
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
5.2979 |
11.0084 |
8.8378 |
15.0784 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-437.5119 |
-146.2836 |
-503.4675 |
-71.9874 |
-155.6698 |
-60.9499 |
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) |