JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37121452 -4315.36675499
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
6.0056 |
-7.8400 |
7.3605 |
12.3170 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-428.1980 |
-578.9253 |
-312.8245 |
186.3318 |
-81.2187 |
121.9786 |
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) |