JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37188380 -4315.38381681
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
4.3866 |
8.5196 |
4.5004 |
10.5868 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-240.9638 |
-500.5595 |
-216.8437 |
32.2778 |
83.9101 |
25.3941 |
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) |