1) Using the computational output (water (H2O) NBO) provided on the webpage for

Question

1) Using the computational output (water (H2O) NBO) provided on the webpage for this experiment, view each of the O-atom lone pairs and provide a rough sketch of them.

Comment on whether or not the geometries match the idealized VSEPR prediction in the previous question.

2) VSEPR often approximates the electron-region geometry well for central atoms with one or fewer lone pairs. Use the computational chemistry output for water to test the VSEPR prediction of its electron-region geometry and molecular geometry

Using the standard VSEPR image of an atom with four electron regions below (two lone pairs), identify its electron-region and molecular geometries.

Explanation / Answer

H2O molecule has angular shape /bent shape/ inverted "V" shape geometry.

It has two lone pairs and 2 bond pairs.

It has C2V point group.

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