JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37209185 -4315.37399602
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
3.0787 |
8.8292 |
-9.6181 |
13.4142 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-371.9805 |
-434.5516 |
-114.6558 |
-95.7393 |
33.1384 |
-38.6983 |
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) |