JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-2148.02656144 -2148.02675086
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-134.7607 |
-55.6732 |
21.5238 |
147.3880 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-4021.2125 |
-892.6897 |
-364.6731 |
-1575.4818 |
597.8556 |
222.4844 |
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) |