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MoCalc2012 download for Windows

Free download MoCalc2012 Windows app to run online win Wine in Ubuntu online, Fedora online or Debian online

This is the Windows app named MoCalc2012 whose latest release can be downloaded as MoCalc2012-setup4203-win64.exe. It can be run online in the free hosting provider OnWorks for workstations.

Download and run online this app named MoCalc2012 with OnWorks for free.

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Wine is a way to run Windows software on Linux, but with no Windows required. Wine is an open-source Windows compatibility layer that can run Windows programs directly on any Linux desktop. Essentially, Wine is trying to re-implement enough of Windows from scratch so that it can run all those Windows applications without actually needing Windows.





MoCalc2012 is a simple, efficient Graphical User Interface for MOPAC, DFTB+, GAMESS(US), Firefly, NWChem, ORCA and PSI4.


  • Use built-in 'JSME' or 'CH5M3D' or your favorite external molecule editors e.g. 'Avogadro' or ACD's 'ChemSketch' for input generation.
  • Loads molecules from files or imports from internet databases.
  • Accepts 2D-, 3D-, SMILES/Inchi-structures and crystallographic data as input.
  • Extensive filtering options for files containing multiple structures.
  • MM based optimization and conformer search prior to MO calculation.
  • Batch processing.
  • Job Manager.
  • Display geometry, orbitals, surfaces, animations, normal modes using integrated 'JSmol/Jmol' viewer.
  • View Energy Level Diagrams, SCF/Geometry Convergence Diagrams, Reaction Path Diagrams,- DOS-, IR-, UV-, Raman-, -NMR and other spectra.
  • Scaling of vibrational frequencies and conversion of NMR tensors to chemical shifts.
  • Comparison of calculated and experimental spectra.
  • Supports Linux versions of MO programs via Windows 10 Subsystem for Linux (WSL)


Science/Research, Engineering

User interface

Win32 (MS Windows)

Programming Language

Visual Basic .NET

Database Environment



Chemistry, Visualization, Education

This is an application that can also be fetched from https://sourceforge.net/projects/mocalc2012/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.