Advanced ORCA UV-Vis

Interactive spectrum viewer

Display

X-axis

λ / nm E / eV E / cm⁻¹

Axis direction

Low → High High → Low

Range min

Range max

Auto range

Spectrum

FWHM / cm⁻¹ 1000 cm⁻¹

100 5000

Calculated in cm⁻¹ axis and converted for display.

Internal width 1000 cm⁻¹

Approx. at 400 nm ≈ 16.0 nm

Approx. energy width ≈ 0.124 eV

Normalize spectrum Normalize max. intensity to 1.

Scale factor 1.0

0.1 5.0

Spectrum shift / cm⁻¹ 0 cm⁻¹

-5000 0 5000

Plot shift only.

Plot elements

Convoluted spectrum Show summed Gaussian spectrum.

Fill spectrum Fill area below the calculated spectrum.

Stick spectrum Show stick spectrum.

State labels Annotate electronic states.

Single Gaussian bands Show individual broadened transitions.

Gaussian band areas Fill individual Gaussian bands.

Peak labels Annotate peaks.

Grid Show grid.

Peak detection

Detect peaks Find peaks in normalized spectrum.

Minimum height 2 %

0 100

Minimum distance 10 cm⁻¹

0 10000

Tables

Assignment display

HOMO/LUMO ORCA orbitals

Assignment selection

Auto Manual

Assignment threshold / % 5 %

0 100

Show transition labels

Experimental overlay

Experimental CSV

2 columns: x = wavelength in nm y = intensity.

Show overlay Display loaded experimental CSV data.

Normalize overlay Scale exp. data.

Baseline correction Subtract exp. baseline before scaling.

Overlay style

Filled line Line

Spectrum preview

X: Wavelength / nm FWHM: 1000 cm⁻¹

Load an ORCA output file to display a UV-Vis spectrum.

Info & metadata

No file

File

—

ORCA version

—

UV-Vis section

—

Transitions

0

Energy range

— cm⁻¹

Wavelength range

— nm

X-axis

—

Axis direction

—

Range mode

—

Displayed range

—

FWHM

— cm⁻¹

Calculated shift

— cm⁻¹

Normalize spectrum

—

Scale factor

—

Outside auto range

—

Broadening basis

cm⁻¹

Line shape

Gaussian

Detected peaks

0 peaks

#	λ / nm	E / eV	E / cm⁻¹	Scaled int.	Rel. int. / %

Transitions

0 transitions

State	λ / nm	E / eV	E / cm⁻¹	fosc	Assignment

Excited-state assignments

0 assignments

HOMO

—

LUMO

—

Source

—

No excited-state assignments loaded.

Experimental data

No file

CSV file

—

Detected delimiter

—

x column

—

Data points

0

Normalization

enabled