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Creating an Input File - English

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Outline:

Creating an Input File About Orca input file. Create a 3D model of a water molecule in Avogadro. Optimize the geometry of the molecule in Avogadro. Measure O-H bond length in the water molecule. Measure the bond angle of the water molecule Save the structure in .xyz file format. About xyz file. About Spin multiplicity. Generate the input file for Orca using Avogadro. Save the structure in .inp file format.

Width:	890	Height:	654
Duration:	00:09:55	Size:	5.4 MB

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Pre-requisite

Installation of ORCA on Windows

Assignment

Script

Slides

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Creating-an-input-file-Slides/Creating an input file.pdf
Creating-an-input-file-Slides/Creating an input file.tex

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