REAL SPACE
MOMENTUM SPACE (Ekin = 30 eV)
ORBITALS Orbitals Excitons
| LUMO+3 | A" | 0 | 1.282 eV | ||
| LUMO+2 | A" | 0 | 0.711 eV | ||
| LUMO+1 | A" | 0 | -0.025 eV | ||
| LUMO ● | A" | 0 | -0.656 eV | ||
| HOMO ● | A" | 2 | -6.072 eV | ||
| HOMO-1 | A" | 2 | -6.845 eV | ||
| HOMO-2 | A" | 2 | -7.794 eV | ||
| HOMO-3 | A" | 2 | -8.712 eV | ||
| HOMO-4 | A" | 2 | -9.387 eV | ||
| HOMO-5 | A" | 2 | -9.535 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -37382.80
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-10 07:05:49
Added 2026-09-14 07:04:15
Legacy ID None
System
Full Name 2-(Furan-2-yl)-5-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]furan-2-yl]furan
Short Name 6f
PubChem CID 68183702
Formula C24H14O6
Mass 398.4 u
Point Group Cs
Orientation xy
Geometry
Light
Momentum Space
k-Path
Detector
Real Space
Spectrum
Units
Atoms
Visibility
Orbital
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Scene
| ID | XC Functional | Basis Set | Code | Charge | Spin | Casida | Legacy |
|---|---|---|---|---|---|---|---|
| 1804 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix