TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A" | 0.000 | 4.056 eV |
| ▸ | S2 | A' | 0.011 | 4.550 eV |
| ▸ | S3 | A' | 0.036 | 4.685 eV |
| ▸ | S4 | A' | 0.481 | 4.888 eV |
| ▸ | S5 | A' | 0.377 | 5.125 eV |
| ▸ | S6 | A" | 0.000 | 5.378 eV |
| ▸ | S7 | A' | 0.004 | 5.545 eV |
| ▸ | S8 | A" | 0.000 | 5.607 eV |
| ▸ | S9 | A' | 0.327 | 5.883 eV |
| ▸ | S10 | A' | 1.464 | 6.037 eV |
| ▸ | S11 | A' | 0.170 | 6.108 eV |
| ▸ | S12 | A' | 0.216 | 6.158 eV |
| ▸ | S13 | A' | 0.059 | 6.551 eV |
| ▸ | S14 | A" | 0.001 | 6.582 eV |
| ▸ | S15 | A' | 0.056 | 6.744 eV |
| ▸ | S16 | A" | 0.000 | 6.822 eV |
| ▸ | S17 | A' | 0.099 | 6.852 eV |
| ▸ | S18 | A" | 0.000 | 6.852 eV |
| ▸ | S19 | A' | 0.134 | 6.995 eV |
| ▸ | S20 | A" | 0.001 | 7.086 eV |
| ▸ | S21 | A' | 0.044 | 7.097 eV |
| ▸ | S22 | A" | 0.001 | 7.126 eV |
| ▸ | S23 | A' | 0.121 | 7.216 eV |
| ▸ | S24 | A" | 0.000 | 7.230 eV |
| ▸ | S25 | A" | 0.004 | 7.298 eV |
| ▸ | S26 | A' | 0.034 | 7.336 eV |
| ▸ | S27 | A" | 0.002 | 7.406 eV |
| ▸ | S28 | A" | 0.001 | 7.448 eV |
| ▸ | S29 | A' | 0.085 | 7.465 eV |
| ▸ | S30 | A" | 0.000 | 7.485 eV |
| ▸ | S31 | A" | 0.002 | 7.525 eV |
| ▸ | S32 | A' | 0.202 | 7.629 eV |
| ▸ | S33 | A" | 0.005 | 7.675 eV |
| ▸ | S34 | A" | 0.001 | 7.690 eV |
| ▸ | S35 | A' | 0.018 | 7.771 eV |
| ▸ | S36 | A" | 0.002 | 7.818 eV |
| ▸ | S37 | A' | 0.010 | 7.841 eV |
| ▸ | S38 | A" | 0.000 | 7.875 eV |
| ▸ | S39 | A' | 0.008 | 7.890 eV |
| ▸ | S40 | A" | 0.000 | 7.961 eV |
| ▸ | S41 | A" | 0.001 | 8.055 eV |
| ▸ | S42 | A" | 0.000 | 8.136 eV |
| ▸ | S43 | A" | 0.000 | 8.166 eV |
| ▸ | S44 | A" | 0.000 | 8.204 eV |
| ▸ | S45 | A" | 0.001 | 8.237 eV |
| ▸ | S46 | A' | 0.099 | 8.275 eV |
| ▸ | S47 | A" | 0.000 | 8.290 eV |
| ▸ | S48 | A' | 0.030 | 8.399 eV |
| ▸ | S49 | A" | 0.001 | 8.417 eV |
| ▸ | S50 | A' | 0.289 | 8.432 eV |
| ▸ | S51 | A' | 0.104 | 8.492 eV |
| ▸ | S52 | A" | 0.000 | 8.513 eV |
| ▸ | S53 | A" | 0.001 | 8.543 eV |
| ▸ | S54 | A" | 0.000 | 8.576 eV |
| ▸ | S55 | A" | 0.001 | 8.598 eV |
| ▸ | S56 | A" | 0.003 | 8.623 eV |
| ▸ | S57 | A" | 0.000 | 8.637 eV |
| ▸ | S58 | A' | 0.100 | 8.677 eV |
| ▸ | S59 | A" | 0.000 | 8.742 eV |
| ▸ | S60 | A' | 0.071 | 8.759 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -20733.13
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 10:35:45
Added 2026-09-10 20:46:40
Legacy ID None
System
Full Name 1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
Short Name CID44241505
PubChem CID 44241505
Formula C15H10N2O
Mass 234.3 u
Point Group Cs
Orientation xy
Aliases DHPCC-9
Geometry
Light
Momentum Space
k-Path
Detector
Real Space
Spectrum
Units
Atoms
Visibility
Orbital
Click the colorbar to add a stop, a stop to recolour it, drag to move it, right-click to remove it.
Scene
Composition
Hole Position
| ID | XC Functional | Basis Set | Code | Charge | Spin | Casida | Legacy |
|---|---|---|---|---|---|---|---|
| 1528 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix