TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A' | 0.068 | 4.202 eV |
| ▸ | S2 | A' | 0.298 | 4.418 eV |
| ▸ | S3 | A' | 0.079 | 5.049 eV |
| ▸ | S4 | A' | 0.212 | 5.117 eV |
| ▸ | S5 | A' | 1.508 | 5.202 eV |
| ▸ | S6 | A" | 0.000 | 5.218 eV |
| ▸ | S7 | A" | 0.000 | 5.252 eV |
| ▸ | S8 | A' | 0.263 | 5.516 eV |
| ▸ | S9 | A" | 0.000 | 5.774 eV |
| ▸ | S10 | A' | 0.452 | 5.806 eV |
| ▸ | S11 | A' | 0.037 | 5.884 eV |
| ▸ | S12 | A' | 0.085 | 6.066 eV |
| ▸ | S13 | A' | 0.302 | 6.152 eV |
| ▸ | S14 | A" | 0.000 | 6.226 eV |
| ▸ | S15 | A' | 0.030 | 6.248 eV |
| ▸ | S16 | A" | 0.000 | 6.362 eV |
| ▸ | S17 | A' | 0.205 | 6.365 eV |
| ▸ | S18 | A' | 0.047 | 6.456 eV |
| ▸ | S19 | A' | 0.021 | 6.538 eV |
| ▸ | S20 | A' | 0.228 | 6.597 eV |
| ▸ | S21 | A" | 0.001 | 6.643 eV |
| ▸ | S22 | A' | 0.069 | 6.686 eV |
| ▸ | S23 | A" | 0.001 | 6.795 eV |
| ▸ | S24 | A' | 0.038 | 6.801 eV |
| ▸ | S25 | A' | 0.031 | 6.821 eV |
| ▸ | S26 | A" | 0.002 | 6.907 eV |
| ▸ | S27 | A" | 0.000 | 6.953 eV |
| ▸ | S28 | A' | 0.039 | 6.964 eV |
| ▸ | S29 | A' | 0.186 | 6.991 eV |
| ▸ | S30 | A" | 0.000 | 7.061 eV |
| ▸ | S31 | A' | 0.000 | 7.143 eV |
| ▸ | S32 | A" | 0.001 | 7.173 eV |
| ▸ | S33 | A" | 0.004 | 7.261 eV |
| ▸ | S34 | A' | 0.220 | 7.295 eV |
| ▸ | S35 | A" | 0.001 | 7.301 eV |
| ▸ | S36 | A" | 0.002 | 7.371 eV |
| ▸ | S37 | A" | 0.000 | 7.394 eV |
| ▸ | S38 | A' | 0.090 | 7.405 eV |
| ▸ | S39 | A" | 0.000 | 7.431 eV |
| ▸ | S40 | A' | 0.260 | 7.470 eV |
| ▸ | S41 | A" | 0.002 | 7.550 eV |
| ▸ | S42 | A" | 0.000 | 7.582 eV |
| ▸ | S43 | A' | 0.062 | 7.612 eV |
| ▸ | S44 | A" | 0.000 | 7.643 eV |
| ▸ | S45 | A" | 0.002 | 7.711 eV |
| ▸ | S46 | A" | 0.002 | 7.728 eV |
| ▸ | S47 | A' | 0.042 | 7.735 eV |
| ▸ | S48 | A" | 0.002 | 7.745 eV |
| ▸ | S49 | A' | 0.074 | 7.775 eV |
| ▸ | S50 | A" | 0.007 | 7.791 eV |
| ▸ | S51 | A" | 0.000 | 7.843 eV |
| ▸ | S52 | A' | 0.014 | 7.882 eV |
| ▸ | S53 | A" | 0.000 | 7.885 eV |
| ▸ | S54 | A" | 0.001 | 7.891 eV |
| ▸ | S55 | A' | 0.173 | 7.919 eV |
| ▸ | S56 | A' | 0.071 | 7.964 eV |
| ▸ | S57 | A' | 0.018 | 8.022 eV |
| ▸ | S58 | A" | 0.002 | 8.065 eV |
| ▸ | S59 | A' | 0.165 | 8.079 eV |
| ▸ | S60 | A" | 0.001 | 8.081 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -27457.78
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 20:35:11
Added 2026-09-10 21:05:33
Legacy ID None
System
Full Name 6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
Short Name K-252C
PubChem CID 3815
Formula C20H13N3O
Mass 311.3 u
Point Group Cs
Orientation yx
Aliases
3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-12-one
3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
5H-Indolo(2,3-a)pyrrolo(3,4-C)carbazol-5-one, 6,7,12,13-tetrahydro-
5H-Indolo[2,3-a]pyrrolo(3,4-C)carbazol-5-one, 6,7,12,13-tetrahydro-
5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, 6,7,12,13-tetrahydro-
6,7,12,13-Tetrahydro-5H-indolo-[2,3-a]pyrrolo[3,4-c]carbazol-5-one
6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo(3,4-C)carbazol-5-one
STAUROSPORINE AGLYCON
staurosporinone
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 |
|---|---|---|---|---|---|---|---|
| 1610 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix