TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A' | 0.207 | 3.425 eV |
| ▸ | S2 | A' | 0.491 | 3.825 eV |
| ▸ | S3 | A" | 0.000 | 3.965 eV |
| ▸ | S4 | A' | 0.028 | 4.366 eV |
| ▸ | S5 | A' | 0.335 | 4.777 eV |
| ▸ | S6 | A' | 0.083 | 5.149 eV |
| ▸ | S7 | A' | 0.129 | 5.242 eV |
| ▸ | S8 | A' | 0.120 | 5.435 eV |
| ▸ | S9 | A' | 0.394 | 5.499 eV |
| ▸ | S10 | A' | 0.005 | 5.508 eV |
| ▸ | S11 | A' | 0.642 | 5.915 eV |
| ▸ | S12 | A" | 0.000 | 5.922 eV |
| ▸ | S13 | A' | 0.957 | 6.049 eV |
| ▸ | S14 | A' | 0.001 | 6.274 eV |
| ▸ | S15 | A' | 0.158 | 6.436 eV |
| ▸ | S16 | A" | 0.001 | 6.497 eV |
| ▸ | S17 | A' | 0.150 | 6.498 eV |
| ▸ | S18 | A" | 0.000 | 6.602 eV |
| ▸ | S19 | A' | 0.026 | 6.619 eV |
| ▸ | S20 | A' | 0.096 | 6.703 eV |
| ▸ | S21 | A" | 0.000 | 6.758 eV |
| ▸ | S22 | A" | 0.001 | 6.830 eV |
| ▸ | S23 | A' | 0.160 | 6.901 eV |
| ▸ | S24 | A' | 0.124 | 6.940 eV |
| ▸ | S25 | A" | 0.000 | 7.022 eV |
| ▸ | S26 | A' | 0.475 | 7.040 eV |
| ▸ | S27 | A" | 0.000 | 7.113 eV |
| ▸ | S28 | A" | 0.001 | 7.186 eV |
| ▸ | S29 | A' | 0.098 | 7.193 eV |
| ▸ | S30 | A" | 0.001 | 7.214 eV |
| ▸ | S31 | A' | 0.002 | 7.237 eV |
| ▸ | S32 | A' | 0.053 | 7.286 eV |
| ▸ | S33 | A" | 0.000 | 7.314 eV |
| ▸ | S34 | A' | 0.008 | 7.321 eV |
| ▸ | S35 | A" | 0.001 | 7.332 eV |
| ▸ | S36 | A" | 0.006 | 7.405 eV |
| ▸ | S37 | A" | 0.001 | 7.418 eV |
| ▸ | S38 | A" | 0.000 | 7.428 eV |
| ▸ | S39 | A' | 0.012 | 7.479 eV |
| ▸ | S40 | A" | 0.000 | 7.533 eV |
| ▸ | S41 | A' | 0.010 | 7.550 eV |
| ▸ | S42 | A" | 0.000 | 7.589 eV |
| ▸ | S43 | A" | 0.000 | 7.644 eV |
| ▸ | S44 | A' | 0.117 | 7.726 eV |
| ▸ | S45 | A" | 0.000 | 7.776 eV |
| ▸ | S46 | A" | 0.000 | 7.785 eV |
| ▸ | S47 | A' | 0.028 | 7.851 eV |
| ▸ | S48 | A" | 0.007 | 7.903 eV |
| ▸ | S49 | A" | 0.000 | 7.917 eV |
| ▸ | S50 | A' | 0.022 | 7.931 eV |
| ▸ | S51 | A" | 0.001 | 7.965 eV |
| ▸ | S52 | A" | 0.000 | 7.968 eV |
| ▸ | S53 | A' | 0.585 | 8.026 eV |
| ▸ | S54 | A" | 0.004 | 8.034 eV |
| ▸ | S55 | A" | 0.000 | 8.099 eV |
| ▸ | S56 | A' | 0.063 | 8.169 eV |
| ▸ | S57 | A' | 0.098 | 8.175 eV |
| ▸ | S58 | A" | 0.003 | 8.180 eV |
| ▸ | S59 | A" | 0.001 | 8.224 eV |
| ▸ | S60 | A' | 0.199 | 8.288 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -24913.85
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 16:50:10
Added 2026-09-10 20:10:52
Legacy ID None
System
Full Name 5,11-Dihydroindolo[3,2-b]carbazole-12-carbaldehyde
Short Name 6-formylindolo(3,2-b)carbazole
PubChem CID 1863
Formula C19H12N2O
Mass 284.3 u
Point Group Cs
Orientation xy
Aliases
5,11-dihydroindolo[3,2-b]carbazole-12-carboxaldehyde
5,11-dihydroindolo[3,2-b]carbazole-6-carbaldehyde
5,11-Dihydroindolo[3,2-b]carbazole-6-carboxaldehyde
FICZ
FICZ-carbazole
Indolo[3,2-b]carbazole-6-carboxaldehyde, 5,11-dihydro-
Geometry
Light
Momentum Space
k-Path
Detector
Real Space
Spectrum
Units
Atoms
Visibility
Orbital
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Scene
Composition
Hole Position
| ID | XC Functional | Basis Set | Code | Charge | Spin | Casida | Legacy |
|---|---|---|---|---|---|---|---|
| 1381 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix