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Quantum Monte Carlo is an efficient technique for finding the ground-stateenergy and related properties of small molecules. A major challenge remains inaccurate determination of a molecule's geometry, i.e. the optimal location ofits individual nuclei and the frequencies of their vibration. The aim of thisarticle is to describe a simple technique to accurately establish suchproperties. This is achieved by varying the trial function to accommodatechanging geometry, thereby removing a source of rather unpleasant singularitieswhich arise when the trial function is fixed (the traditional approach).

Molecular geometry and vibrational frequencies by parallel sampling