TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | — | 0.101 | 3.684 eV |
| ▸ | S2 | — | 0.001 | 4.021 eV |
| ▸ | S3 | — | 0.264 | 4.389 eV |
| ▸ | S4 | — | 0.766 | 4.655 eV |
| ▸ | S5 | — | 0.028 | 4.853 eV |
| ▸ | S6 | — | 0.016 | 5.167 eV |
| ▸ | S7 | — | 0.235 | 5.251 eV |
| ▸ | S8 | — | 0.064 | 5.661 eV |
| ▸ | S9 | — | 0.002 | 5.696 eV |
| ▸ | S10 | — | 0.050 | 5.719 eV |
| ▸ | S11 | — | 0.928 | 5.803 eV |
| ▸ | S12 | — | 0.004 | 5.930 eV |
| ▸ | S13 | — | 0.150 | 5.996 eV |
| ▸ | S14 | — | 0.006 | 6.059 eV |
| ▸ | S15 | — | 0.008 | 6.100 eV |
| ▸ | S16 | — | 0.009 | 6.193 eV |
| ▸ | S17 | — | 0.025 | 6.285 eV |
| ▸ | S18 | — | 0.002 | 6.323 eV |
| ▸ | S19 | — | 0.003 | 6.572 eV |
| ▸ | S20 | — | 0.007 | 6.615 eV |
| ▸ | S21 | — | 0.281 | 6.693 eV |
| ▸ | S22 | — | 0.073 | 6.785 eV |
| ▸ | S23 | — | 0.178 | 6.832 eV |
| ▸ | S24 | — | 0.204 | 6.866 eV |
| ▸ | S25 | — | 0.008 | 6.914 eV |
| ▸ | S26 | — | 0.055 | 6.963 eV |
| ▸ | S27 | — | 0.004 | 7.014 eV |
| ▸ | S28 | — | 0.010 | 7.089 eV |
| ▸ | S29 | — | 0.275 | 7.149 eV |
| ▸ | S30 | — | 0.033 | 7.179 eV |
| ▸ | S31 | — | 0.001 | 7.185 eV |
| ▸ | S32 | — | 0.289 | 7.301 eV |
| ▸ | S33 | — | 0.007 | 7.336 eV |
| ▸ | S34 | — | 0.023 | 7.353 eV |
| ▸ | S35 | — | 0.025 | 7.476 eV |
| ▸ | S36 | — | 0.021 | 7.517 eV |
| ▸ | S37 | — | 0.050 | 7.554 eV |
| ▸ | S38 | — | 0.006 | 7.601 eV |
| ▸ | S39 | — | 0.076 | 7.628 eV |
| ▸ | S40 | — | 0.027 | 7.640 eV |
| ▸ | S41 | — | 0.029 | 7.676 eV |
| ▸ | S42 | — | 0.006 | 7.761 eV |
| ▸ | S43 | — | 0.001 | 7.790 eV |
| ▸ | S44 | — | 0.005 | 7.808 eV |
| ▸ | S45 | — | 0.010 | 7.820 eV |
| ▸ | S46 | — | 0.055 | 7.855 eV |
| ▸ | S47 | — | 0.055 | 7.891 eV |
| ▸ | S48 | — | 0.069 | 7.901 eV |
| ▸ | S49 | — | 0.049 | 7.904 eV |
| ▸ | S50 | — | 0.038 | 7.929 eV |
| ▸ | S51 | — | 0.516 | 7.987 eV |
| ▸ | S52 | — | 0.009 | 8.000 eV |
| ▸ | S53 | — | 0.069 | 8.046 eV |
| ▸ | S54 | — | 0.062 | 8.065 eV |
| ▸ | S55 | — | 0.009 | 8.078 eV |
| ▸ | S56 | — | 0.036 | 8.094 eV |
| ▸ | S57 | — | 0.025 | 8.126 eV |
| ▸ | S58 | — | 0.032 | 8.145 eV |
| ▸ | S59 | — | 0.165 | 8.154 eV |
| ▸ | S60 | — | 0.044 | 8.161 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -24946.44
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 17:17:33
Added 2026-09-10 19:36:56
Legacy ID None
System
Full Name 2-Anilino-10H-acridin-9-one
Short Name 2-Anilino-10H-acridin-9-one
PubChem CID 3018596
Formula C19H14N2O
Mass 286.3 u
Point Group C1
Orientation xy
Aliases
2-anilinoacridone
9(10H)-Acridinone, 2-(phenylamino)-
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 |
|---|---|---|---|---|---|---|---|
| 1194 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix