JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37182473 -4315.37174008
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-7.8900 |
2.6814 |
-11.2496 |
13.9999 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-450.1732 |
-361.0039 |
-108.8770 |
104.8611 |
-44.7223 |
118.0797 |
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) |