JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.36902247 -4315.36835572
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-3.3773 |
-12.9461 |
-6.1320 |
14.7176 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-219.1673 |
-361.8704 |
-388.9033 |
182.8798 |
63.9886 |
-79.9982 |
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) |