TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A" | 0.000 | 3.964 eV |
| ▸ | S2 | A' | 0.141 | 4.061 eV |
| ▸ | S3 | A" | 0.031 | 4.791 eV |
| ▸ | S4 | A" | 0.102 | 5.147 eV |
| ▸ | S5 | A' | 0.018 | 5.652 eV |
| ▸ | S6 | A" | 1.270 | 5.724 eV |
| ▸ | S7 | A" | 0.059 | 5.834 eV |
| ▸ | S8 | A' | 0.002 | 6.024 eV |
| ▸ | S9 | A' | 0.081 | 6.232 eV |
| ▸ | S10 | A' | 0.001 | 6.310 eV |
| ▸ | S11 | A' | 0.021 | 6.409 eV |
| ▸ | S12 | A' | 0.001 | 6.542 eV |
| ▸ | S13 | A" | 0.531 | 6.768 eV |
| ▸ | S14 | A' | 0.048 | 6.827 eV |
| ▸ | S15 | A" | 0.016 | 6.947 eV |
| ▸ | S16 | A' | 0.008 | 7.047 eV |
| ▸ | S17 | A' | 0.002 | 7.197 eV |
| ▸ | S18 | A" | 0.063 | 7.211 eV |
| ▸ | S19 | A" | 0.000 | 7.220 eV |
| ▸ | S20 | A" | 0.002 | 7.456 eV |
| ▸ | S21 | A' | 0.000 | 7.569 eV |
| ▸ | S22 | A" | 0.004 | 7.583 eV |
| ▸ | S23 | A' | 0.006 | 7.649 eV |
| ▸ | S24 | A" | 0.128 | 7.691 eV |
| ▸ | S25 | A' | 0.018 | 7.711 eV |
| ▸ | S26 | A' | 0.218 | 7.751 eV |
| ▸ | S27 | A" | 0.000 | 7.794 eV |
| ▸ | S28 | A' | 0.243 | 7.923 eV |
| ▸ | S29 | A" | 0.008 | 7.952 eV |
| ▸ | S30 | A' | 0.031 | 7.976 eV |
| ▸ | S31 | A" | 0.201 | 8.055 eV |
| ▸ | S32 | A' | 0.864 | 8.111 eV |
| ▸ | S33 | A" | 0.000 | 8.218 eV |
| ▸ | S34 | A' | 0.000 | 8.218 eV |
| ▸ | S35 | A" | 0.038 | 8.274 eV |
| ▸ | S36 | A" | 0.000 | 8.293 eV |
| ▸ | S37 | A" | 0.003 | 8.309 eV |
| ▸ | S38 | A' | 0.000 | 8.310 eV |
| ▸ | S39 | A" | 0.000 | 8.330 eV |
| ▸ | S40 | A' | 0.010 | 8.427 eV |
| ▸ | S41 | A' | 0.008 | 8.460 eV |
| ▸ | S42 | A" | 0.003 | 8.490 eV |
| ▸ | S43 | A' | 0.003 | 8.568 eV |
| ▸ | S44 | A' | 0.089 | 8.668 eV |
| ▸ | S45 | A" | 0.047 | 8.674 eV |
| ▸ | S46 | A' | 0.024 | 8.701 eV |
| ▸ | S47 | A' | 0.004 | 8.748 eV |
| ▸ | S48 | A' | 0.021 | 8.776 eV |
| ▸ | S49 | A" | 0.092 | 8.792 eV |
| ▸ | S50 | A" | 0.002 | 8.811 eV |
| ▸ | S51 | A" | 0.052 | 8.860 eV |
| ▸ | S52 | A" | 0.002 | 8.890 eV |
| ▸ | S53 | A" | 0.002 | 8.925 eV |
| ▸ | S54 | A' | 0.007 | 8.991 eV |
| ▸ | S55 | A" | 0.001 | 9.022 eV |
| ▸ | S56 | A' | 0.000 | 9.041 eV |
| ▸ | S57 | A" | 0.033 | 9.070 eV |
| ▸ | S58 | A" | 0.008 | 9.095 eV |
| ▸ | S59 | A' | 0.005 | 9.135 eV |
| ▸ | S60 | A" | 0.003 | 9.137 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -18222.53
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:32:45
Added 2026-09-10 21:06:37
Legacy ID None
System
Full Name 10-Methylacridin-9-one
Short Name N-Methylacridone
PubChem CID 69751
Formula C14H11NO
Mass 209.2 u
Point Group Cs
Orientation zx
Aliases
10-Methyl-9(10H)-acridinone, 9CI
10-Methyl-9-acridanone, 8CI
10-Methylacridon
10-methylacridone
9(10H)-Acridinone, 10-methyl-
9-Acridanone, 10-methyl-
N-Methyl-acridone
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 |
|---|---|---|---|---|---|---|---|
| 1614 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix