JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37099226 -4315.37260479
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-8.0368 |
-0.2035 |
-7.2719 |
10.8403 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-165.0051 |
-299.4510 |
-403.0184 |
103.4403 |
20.4882 |
67.6816 |
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) |