How to Predict Molecular Shape Using VSEPR (Step by Step)

Chemistry · Chemical Bonding · NEET

To find a molecule's shape with VSEPR, count how many atoms are bonded to the central atom (bond pairs) and how many lone pairs it has. Add them to get the "steric number", place these pairs as far apart as possible, then hide the lone pairs to see the final shape. Memory hook: "Count pairs, spread them out, then hide the lone pairs."
VSEPR: same 4 regions, lone pairs change the shapeCH4 AB4C0 lone pairsTetrahedral 109.5NH3 AB3ENlp1 lone pairPyramidal 107H2O AB2E2Olplp2 lone pairsBent 104.5
Same central-atom family with 4 electron regions: as lone pairs go from 0 to 2, the atom shape changes from tetrahedral (CH4) to trigonal pyramidal (NH3) to bent (H2O), and the bond angle shrinks from 109.5 to 107 to 104.5 degrees.

Your doubts, answered

What are the exact steps to predict shape using VSEPR?

Follow 5 steps every time. 1) Pick the central atom (usually the least electronegative one, or the single atom like C in CH4, N in NH3). 2) Count bond pairs = number of atoms directly bonded to it (a double or triple bond still counts as ONE region). 3) Count lone pairs on the central atom using: lone pairs = (valence electrons of central atom - electrons used in bonds) / 2. 4) Add bond pairs + lone pairs = steric number, and arrange these regions as far apart as possible. 5) Look only at where the ATOMS are (ignore lone pairs) to name the final shape. This order never changes, so practise it until it is automatic.

How do I count lone pairs on the central atom quickly?

Use this shortcut: L = (V - B) / 2, where V = valence electrons of the central atom and B = number of single bonds (sigma bonds) to surrounding atoms, adjusted for charge. Example NH3: N has 5 valence electrons, makes 3 N-H bonds, so L = (5 - 3)/2 = 1 lone pair. Example H2O: O has 6, makes 2 O-H bonds, so L = (6 - 2)/2 = 2 lone pairs. For an ion, add one electron for each negative charge and subtract one for each positive charge before dividing.

What is the difference between electron geometry and molecular shape?

Electron geometry counts ALL regions (bond pairs AND lone pairs) and tells you how they spread in space. Molecular shape looks only at the ATOMS, so it ignores the lone pairs. Example: H2O has 4 electron regions (2 bonds + 2 lone pairs) so its electron geometry is tetrahedral, but because we only see the atoms, its molecular shape is bent. This is why NEET can ask you for shape and geometry separately, so always answer for atoms only when they ask for shape.

Why does a lone pair change the shape and bond angle?

A lone pair belongs to only one atom, so it spreads out more and pushes harder than a bond pair (which is shared between two atoms). The repulsion order is lone pair-lone pair > lone pair-bond pair > bond pair-bond pair. Because lone pairs push the bonds closer together, the bond angle drops. That is why the angle goes 109.5 degrees (CH4, no lone pair) to 107 degrees (NH3, 1 lone pair) to 104.5 degrees (H2O, 2 lone pairs).

How do I write the ABxEy type of a molecule?

A = central atom, B = each bonded atom, x = number of bond pairs, E = lone pair, y = number of lone pairs. So CH4 is AB4 (4 bonds, 0 lone pairs = tetrahedral), NH3 is AB3E (3 bonds, 1 lone pair = trigonal pyramidal), H2O is AB2E2 (2 bonds, 2 lone pairs = bent), SF4 is AB4E (see-saw), ClF3 is AB3E2 (T-shape), XeF2 is AB2E3 (linear). Once you write the correct ABxEy label, the shape is fixed and you just recall it.

Do double and triple bonds change the shape?

No. In VSEPR a double bond or triple bond counts as ONE electron region, just like a single bond, when you decide the shape. Example CO2: carbon has 2 double bonds, that is 2 regions and 0 lone pairs, so it is linear (180 degrees). The extra pi electrons do not add a new direction. They only make that region slightly fatter, which can shrink the other angles a little, but they never count as a separate corner.

⚠️ The NEET trap
Counting lone pairs as part of the shape, so calling H2O 'tetrahedral' or NH3 'tetrahedral'.
Lone pairs decide the electron geometry, but the SHAPE is named from atom positions only: H2O is bent, NH3 is trigonal pyramidal. Only CH4 (no lone pair) is tetrahedral.
🧠 Shape = where the ATOMS are. Hide the lone pairs before you name it.

Real NEET questions

NEET 2016

Predict the correct order among the following (repulsion between electron pairs as per VSEPR theory):

A · Lone pair-lone pair > lone pair-bond pair > bond pair-bond pair
B · Lone pair-lone pair > bond pair-bond pair > lone pair-bond pair
C · Bond pair-bond pair > lone pair-bond pair > lone pair-lone pair
D · Lone pair-bond pair > bond pair-bond pair > lone pair-lone pair
Solution: A lone pair sits on only one atom, so it spreads out more and repels harder than a shared bond pair. The correct order is lp-lp > lp-bp > bp-bp. This is the rule that shrinks bond angles when lone pairs are present, so it directly controls the shape you predict.
NEET 2022

Amongst the following, which one will have maximum 'lone pair-lone pair' electron repulsion?

A · ClF3
B · IF5
C · SF4
D · XeF2
Solution: Count lone pairs on the central atom. XeF2 is AB2E3 (2 bonds, 3 lone pairs), ClF3 is AB3E2 (2 lone pairs), SF4 is AB4E (1 lone pair), IF5 is AB5E (1 lone pair). XeF2 has the most lone pairs (3), so it has the maximum lone pair-lone pair repulsion. This shows why XeF2 ends up linear: the 3 lone pairs take all equatorial spots.

Solved Chemical Bonding NEET PYQs

Try the real previous-year questions from this chapter — each with the answer and a full solution.

See all 51 Chemical Bonding NEET PYQs ›
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Frequently asked

What is the steric number in VSEPR?

Steric number = number of bond pairs + number of lone pairs on the central atom. It tells you the basic arrangement: 2 = linear, 3 = trigonal planar, 4 = tetrahedral, 5 = trigonal bipyramidal, 6 = octahedral. You find the shape by then removing the lone pairs.

How do I pick the central atom?

Choose the atom that is usually least electronegative and can form the most bonds, often the single atom in the formula. In CH4 it is C, in NH3 it is N, in H2O it is O, in SF4 it is S. Hydrogen is never the central atom because it forms only one bond.

Does VSEPR work for ions like NH4+ or CO3^2-?

Yes. First adjust the electron count for the charge: subtract one electron for each + charge and add one for each - charge, then count bond pairs and lone pairs as usual. NH4+ is AB4 (tetrahedral) and CO3^2- is AB3 with 0 lone pairs (trigonal planar).

Why does a lone pair go to the equatorial position in trigonal bipyramidal shapes?

In a trigonal bipyramid the equatorial positions have more room (only 2 close neighbours at 90 degrees instead of 3). A lone pair needs the most space, so it goes equatorial. This is why SF4 is see-saw, ClF3 is T-shaped and XeF2 is linear.

Why does this matter for NEET?

Shape questions appear almost every year, often as match-the-column with hybridisation. If you can quickly count bond pairs and lone pairs and read off the shape, you can solve these in seconds and also predict polarity and bond angle, which are common follow-up traps.