2,6-Dimethyl-10H-acridin-9-one (C15H13NO) - #1262

CAM-B3LYP def2-TZVP q = 0 2S+1 = 1 Orbitals Excitons

REAL SPACE

MOMENTUM SPACE (Ekin = 30 eV)

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—

ORBITALS

LUMO+3 A 0 1.575 eV
LUMO+2 A 0 0.991 eV
LUMO+1 A 0 0.492 eV
LUMO ● A 0 -0.551 eV
HOMO ● A 2 -7.037 eV
HOMO-1 A 2 -8.321 eV
HOMO-2 A 2 -8.361 eV
HOMO-3 A 2 -8.638 eV
HOMO-4 A 2 -8.775 eV
HOMO-5 A 2 -10.640 eV

Calculation

XC Functional CAM-B3LYP

Basis Set def2-TZVP

Charge 0.0

Spin 0.0

Total Energy [eV] -19292.78

Code Orca 6.1.1

Author Dominik Brandstetter

Date 2025-11-21 09:33:24

Added 2026-09-10 19:49:18

Legacy ID None

System

Full Name 2,6-Dimethyl-10H-acridin-9-one

Short Name 2,6-dimethyl-10H-acridin-9-one

Formula C15H13NO

Mass 223.3 u

Point Group C1

Orientation xy

Geometry

Substrate

Light

Energy Mode
Polarization
Handedness

Momentum Space

k-Path

Detector

Real Space

Spectrum

Broadening
Energy Axis
Peak Scaling

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Energy Unit

Atoms

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Orbital

Intensity Scale
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Scene

Hemisphere
ID XC Functional Basis Set Code Charge Spin Casida Legacy
1262 CAM-B3LYP def2-TZVP Orca 0.0 0.0 ✓

Input File

Output File

Coefficients

Serving Binaries

Transition Matrix

ENERGY SPECTRUM