Molecular Orbital Calculator
Explore molecular orbital theory for homonuclear diatomic molecules. Calculate bond order and predict magnetic properties.
O2
MO Energy Diagram
π*2p2 e-
↑
↑
π2p4 e-
↑↓
↑↓
σ2p2 e-
↑↓
σ*2s2 e-
↑↓
σ2s2 e-
↑↓
σ*1s2 e-
↑↓
σ1s2 e-
↑↓
Bonding e-
10
Antibonding e-
6
Bond Order
2
Unpaired e-
2
Stability
Stable
Magnetism
Paramagnetic
Bond Order = (Bonding - Antibonding) / 2 = (10 - 6) / 2 = 2
Molecular Orbital Theory
- Atomic orbitals combine to form molecular orbitals (LCAO)
- Bond Order = (bonding electrons - antibonding electrons) / 2
- Bond Order > 0 means the molecule is stable
- Unpaired electrons make molecules paramagnetic
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Editorial Note
MyCalcBuddy Editorial Team
This page is maintained as an educational calculator reference.
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Formula Source: Chemistry: The Central Science
by Brown, LeMay, Bursten
🔄Last reviewed: May 2026
✓Formula checks are based on standard references and internal QA review.