Build a small molecule and verify atom types, bonding, charge, and stereochemistry before preparing a calculation. Use geometry cleanup as an initial aid, then select an appropriate external method for serious analysis. Inspect imported or optimized structures visually and retain the source and calculation settings so structural changes remain traceable.
This is best suited to students and researchers preparing molecular structures. Before committing a larger project, account for these trade-offs: external calculations need separate engines; default geometries require scientific checking.
