JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37520692 -4315.37711872
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
6.8612 |
6.5661 |
2.7608 |
9.8900 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-584.3905 |
-247.9234 |
-300.9054 |
-68.4999 |
-62.6902 |
-6.7239 |
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) |