JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.36901998 -4315.37368072
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-2.4652 |
-2.2070 |
10.7929 |
11.2887 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-228.6623 |
-332.2713 |
-327.2716 |
26.3112 |
-160.1545 |
25.5701 |
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) |