JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.36801350 -4315.37444147
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-4.9125 |
-8.3013 |
-4.3693 |
10.5894 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-384.2261 |
-594.0403 |
-277.4650 |
-167.3034 |
-13.5742 |
-33.4653 |
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) |