JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37192797 -4315.36996295
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-8.0150 |
-7.5509 |
6.3575 |
12.7151 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-519.4481 |
-246.2995 |
-211.2214 |
-59.3184 |
20.6123 |
-85.7002 |
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) |