JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.36833015 -4315.37036911
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
1.3919 |
-9.6373 |
-8.0428 |
12.6294 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-280.6919 |
-141.4150 |
-462.8180 |
-91.8957 |
-38.5610 |
-31.7775 |
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) |