JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-2148.02544141 -2148.02544141
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-35.3923 |
0.7312 |
-62.0905 |
71.4729 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-489.3674 |
-271.8796 |
-1059.8874 |
14.5559 |
-448.2030 |
-12.3574 |
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) |