I'm doing some computational work and am manually inputting Z-matrices for the molecule (no GUI support for my program). For this, I need bond lengths:
- I tried Herzberg's book
- I tried a basic optimize in Avogadro and then asked it to generate a Z matrix.
- I checked Scifinder for structural properties
However, bond lengths vary quite a bit from these sources (upto 0.4 Angstroms). I understand that these sources are a few decades apart from each other.
Should I just stick to the newest source? Or should I stick to Herzberg because he's like the established standard?
(I'm not sure what are the best tags for this question, please feel free to suggest more/edit them)