.. image:: img/ORCA_logo.png
   :width: 300
   :align: center
   :alt: ORCA logo

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ORCA tutorials - Compatible with ORCA 5.0!
==========================================

Here you will find tutorials on how to perform calculations using ORCA. These are aimed for new users and people who want to get introduced into basic molecular modeling.

For more detailed documentation, please go to the documentation_ section and for specific hints, go for the `tricks and tips`_ section.

.. _documentation: index.html
.. _`tricks and tips`: index.html

These tutorials are divided in four main topics:

First steps
-----------

Some very basic information. If you never used ORCA before, maybe it is best to start here, otherwise you can just skip and go to the next sections.

* **How to start?** :doc:`first_steps/install` | :doc:`first_steps/first_calc`

* **Dealing with files?** :doc:`first_steps/input_output`

* **Want to go faster?** :doc:`first_steps/parallel`

* **Help with visualizing?** :doc:`first_steps/GUI`

* **Problems?** :doc:`first_steps/trouble_install`

.. toctree::
   :caption: First steps
   :hidden:
   :maxdepth: 1

   first_steps/install
   first_steps/first_calc
   first_steps/input_output
   first_steps/parallel
   first_steps/GUI
   first_steps/trouble_install

.. Properties
   ----------

.. In this section we include everything related to calculating properties such as the energy, dipole moment, polarizability, atomic charges and also how to optimize the geometry for your system.

.. toctree::
   :maxdepth: 1
   :caption: Properties

   prop/single_point
   prop/geoopt
   prop/freq
   prop/thermo
   prop/CPCM
   prop/corren
   prop/relativistic

.. Reactivity
   ----------

.. toctree::
   :maxdepth: 1
   :caption: Reactivity

   react/nebts
   react/actibar
   react/KIE
   react/FUKUI

.. Spectroscopy
   ------------

.. toctree::
   :maxdepth: 1
   :caption: Spectroscopy

   spec/IR
   spec/UVVis
   spec/ECD
   spec/SOC
   spec/EPR
   spec/NMR
   
.. Multiscale
   ----------

.. toctree::
   :maxdepth: 1
   :caption: Multiscale methods

   multi/basics
   multi/basics-otheroniom
   multi/oniom-nebts