JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-2148.03294763 -2148.03294763
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
16.7712 |
-4.1388 |
4.0334 |
17.7390 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-294.3605 |
-266.9463 |
-269.6257 |
4.6941 |
20.3590 |
14.9389 |
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) |