REAL SPACE
MOMENTUM SPACE (Ekin = 30 eV)
ORBITALS
| LUMO+3 | A" | 0 | 0.662 eV | ||
| LUMO+2 | A" | 0 | 0.400 eV | ||
| LUMO+1 | A" | 0 | -0.147 eV | ||
| LUMO ● | A" | 0 | -1.472 eV | ||
| HOMO ● | A" | 2 | -6.876 eV | ||
| HOMO-1 | A" | 2 | -7.326 eV | ||
| HOMO-2 | A" | 2 | -7.491 eV | ||
| HOMO-3 | A" | 2 | -8.514 eV | ||
| HOMO-4 | A" | 2 | -8.824 eV | ||
| HOMO-5 | A" | 2 | -9.452 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -25071.01
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2025-11-21 09:33:24
Added 2026-09-10 20:35:29
Legacy ID None
System
Full Name Heptacyclo[15.6.1.02,15.03,12.04,9.05,23.020,24]tetracosa-1(23),2(15),3(12),4(9),5,7,10,13,16,18,20(24),21-dodecaene
Short Name CID13766978
Formula C24H12
Mass 300.4 u
Point Group Cs
Orientation xy
Geometry
Light
Momentum Space
k-Path
Detector
Real Space
Spectrum
Units
Atoms
Visibility
Orbital
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Scene
| ID | XC Functional | Basis Set | Code | Charge | Spin | Casida | Legacy |
|---|---|---|---|---|---|---|---|
| 1487 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix