TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A' | 0.086 | 4.209 eV |
| ▸ | S2 | A' | 0.211 | 4.447 eV |
| ▸ | S3 | A' | 0.081 | 5.145 eV |
| ▸ | S4 | A' | 0.186 | 5.369 eV |
| ▸ | S5 | A' | 1.086 | 5.598 eV |
| ▸ | S6 | A' | 0.137 | 5.764 eV |
| ▸ | S7 | A' | 0.215 | 5.855 eV |
| ▸ | S8 | A' | 0.042 | 6.076 eV |
| ▸ | S9 | A" | 0.000 | 6.185 eV |
| ▸ | S10 | A' | 0.036 | 6.323 eV |
| ▸ | S11 | A' | 0.223 | 6.445 eV |
| ▸ | S12 | A" | 0.000 | 6.482 eV |
| ▸ | S13 | A' | 0.085 | 6.773 eV |
| ▸ | S14 | A' | 0.125 | 6.813 eV |
| ▸ | S15 | A" | 0.000 | 6.919 eV |
| ▸ | S16 | A" | 0.000 | 6.999 eV |
| ▸ | S17 | A' | 0.029 | 7.044 eV |
| ▸ | S18 | A" | 0.000 | 7.101 eV |
| ▸ | S19 | A' | 0.020 | 7.140 eV |
| ▸ | S20 | A" | 0.001 | 7.152 eV |
| ▸ | S21 | A" | 0.000 | 7.345 eV |
| ▸ | S22 | A' | 0.410 | 7.378 eV |
| ▸ | S23 | A" | 0.000 | 7.420 eV |
| ▸ | S24 | A' | 0.883 | 7.428 eV |
| ▸ | S25 | A" | 0.002 | 7.432 eV |
| ▸ | S26 | A" | 0.000 | 7.582 eV |
| ▸ | S27 | A" | 0.009 | 7.608 eV |
| ▸ | S28 | A' | 0.193 | 7.614 eV |
| ▸ | S29 | A' | 0.254 | 7.689 eV |
| ▸ | S30 | A" | 0.000 | 7.726 eV |
| ▸ | S31 | A' | 0.395 | 7.776 eV |
| ▸ | S32 | A" | 0.002 | 7.807 eV |
| ▸ | S33 | A" | 0.003 | 7.811 eV |
| ▸ | S34 | A' | 0.264 | 7.873 eV |
| ▸ | S35 | A" | 0.002 | 7.908 eV |
| ▸ | S36 | A" | 0.003 | 7.924 eV |
| ▸ | S37 | A" | 0.002 | 8.089 eV |
| ▸ | S38 | A" | 0.000 | 8.112 eV |
| ▸ | S39 | A' | 0.310 | 8.129 eV |
| ▸ | S40 | A" | 0.001 | 8.154 eV |
| ▸ | S41 | A" | 0.003 | 8.189 eV |
| ▸ | S42 | A" | 0.005 | 8.298 eV |
| ▸ | S43 | A" | 0.002 | 8.304 eV |
| ▸ | S44 | A" | 0.005 | 8.382 eV |
| ▸ | S45 | A' | 0.023 | 8.395 eV |
| ▸ | S46 | A" | 0.001 | 8.446 eV |
| ▸ | S47 | A" | 0.000 | 8.460 eV |
| ▸ | S48 | A' | 0.107 | 8.483 eV |
| ▸ | S49 | A" | 0.001 | 8.499 eV |
| ▸ | S50 | A" | 0.000 | 8.569 eV |
| ▸ | S51 | A" | 0.000 | 8.594 eV |
| ▸ | S52 | A' | 0.011 | 8.611 eV |
| ▸ | S53 | A' | 0.037 | 8.665 eV |
| ▸ | S54 | A" | 0.000 | 8.678 eV |
| ▸ | S55 | A" | 0.001 | 8.717 eV |
| ▸ | S56 | A" | 0.000 | 8.743 eV |
| ▸ | S57 | A' | 0.009 | 8.792 eV |
| ▸ | S58 | A" | 0.001 | 8.817 eV |
| ▸ | S59 | A" | 0.001 | 8.851 eV |
| ▸ | S60 | A' | 0.048 | 8.874 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -18249.29
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:46:04
Added 2026-09-10 20:16:10
Legacy ID None
System
Full Name 7H-benzo[c]carbazole
Short Name 7H-Benzo[c]carbazole
PubChem CID 67459
Formula C16H11N
Mass 217.3 u
Point Group Cs
Orientation xy
Aliases 7-Aza-7H-benzo[c]fluorene
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 |
|---|---|---|---|---|---|---|---|
| 1404 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix