How to plot the real 1H-NMR spectrum using Gaussian16 and Multiwfn | Gaussian 1H-NMR Spectrum

[@esmaym2943]

THIS IS AMAZING! THANK YOU SO MUCH!

[@abdelhamidbadaoui4011]

Thank for sharing Great work

[@dbinfotech]

Thank you! Cheers!

[@hepsibahpriyadarshini.c5327]

Thank you Sir!

[@dbinfotech]

Welcome

[@hepsibahpriyadarshini.c5327]

@@dbinfotech Sir I have got two doubts: 1) Since we are using G16 can we still make use of the G09 slope and intercept values Sir.. 2) I have performed all my studies in the solvent phase whereas in CHESHIRE optimisation has been performed in gaseous phase followed by NMR in either gaseous/ solvent phase.. So, Can I consider the slope and intercept values from there Sir.. Thank you Sir!!

[@dbinfotech]

1) you can use intercept values for g09 or G16 there is no problem. 2) they also provided solvent phase intercept value, please check carefully. Thank you, please subscribe and share your friends.

[@hepsibahpriyadarshini.c5327]

@@dbinfotech Thank you so much Sir. Sure I will Sir.. Yes Sir but all the optimizations have been carried out only in gaseous phase Sir..

[@dbinfotech]

Do geometry optimization in gas phase and do nmr in solvent phase. This is the method.