I have never posted an upside-down smile before now.
That is large money, and in the extraordinary event that I were to wish to pay I would use a temporary credit card.
My guess (not as good as your own guess?) is that this software is most likely to be used by a chemist. A transition metals chemist I once knew taught similar-sounding stuff. Perhaps you can find professional users of the software somewhere. I don't know any chemists any more.