JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37265995 -4315.37480958
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
3.5233 |
3.6034 |
-6.2152 |
8.0017 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-283.2564 |
-444.4826 |
-410.6233 |
-48.8849 |
17.8011 |
151.1730 |
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) |