JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.36976006 -4315.37307502
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-10.0548 |
5.1848 |
-0.1719 |
11.3142 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-513.6363 |
-449.1690 |
-305.9119 |
187.6216 |
113.9656 |
-43.9429 |
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) |