JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37150820 -4315.37203952
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-1.5452 |
11.0775 |
-5.0216 |
12.2603 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-370.2390 |
-303.5119 |
-318.5600 |
168.3861 |
-83.7497 |
6.3438 |
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) |