Spectra DX Converter

Language

Upload a quantum-chemistry output (Gaussian / ORCA / CFOUR) → choose settings → generate a spectrum and export as SVG/PNG/CSV/JCAMP-DX (.dx).

1) Input & Settings

Gaussian output (.out/.log) Gaussian input

No file chosen

The file stays local in your browser (no upload).

Data source

Bands

Plot min (cm⁻¹)

Plot max (cm⁻¹)

Resolution / step size Δx (cm⁻¹)

Line width FWHM (cm⁻¹)

Broadening

Intensity factor (plot & DX)

Default: 0.01 → ~100× smaller intensities (typ. 0.2–2 in experiments).

Frequency scaling factor

Use CCCBDB

CCCBDB: —

NIST CCCBDB scaling factors

Options: Invert X (typical IR) Normalize (max=1) Show sticks Transmission

DX title (OPUS)

DX export: JCAMP-DX (*.dx) on an equidistant grid (Δx = resolution).

Status: Please load a Gaussian file…

Zoom: drag = zoom in, double click = zoom out.

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