# MOLDEN¶

## Description¶

A molden file format can be generated as an output for orbitals, geometries, and vibrational frequencies. If a geometry optimization is performed, a molden file is generated that contains the geometry at each step in the optimization by default.

A molden file can also be read to restart calculations. See the molecule section for more information.

## Keywords¶

file

Description: Name of the file to be generated
Datatype: string

orbitals

Description: Molecular orbitals are written to the molden file.
Datatype: bool
Default: false

vibration

Description: The vibrational frequencies, infrared intensities, and the cartesian eigenvectors of the normal modes are written to the molden file.
Datatype: bool
Default: false

## Example¶

### Sample input¶

Write molecular orbitals:

{ "bagel" : [

.... energy calculation....

{
"title" : "print",
"file" : "orbitals.molden",
"orbitals" : true
}

]}


Write results from a vibrational frequency calculation:

{ "bagel" : [

.... energy and Hessian calculation ....

{
"title" : "print",
"file" : "freq.molden",
"vibration" : true
}

]}


## References¶

Description of Reference Reference
Molden and the model file format www.cmbi.ru.ml/molden