JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.36864542 -4315.37566472
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
10.6670 |
-0.6069 |
-4.4622 |
11.5786 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-607.1332 |
-287.0716 |
-380.5278 |
-109.4711 |
157.6436 |
56.4184 |
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) |