2 There is no unique definition of sensitivity, Multiwfn is unable to directly calculate it, but some atomic or molecular descriptors that supported by Multiwfn may have some relationship with sensitivity.

3 Multiwfn doesn't have a function to directly estimate recovery time. Perhaps you need to use molecular dynamics code to evaluate this quantity.

1. Photoelectron spectroscopy vs Binding Energy

2.  Sensitivity of a (sensor) given the molecular structure

3. Recovery time of a (sensor) given the molecular structure