[molpro-user] NMR properties in molpro

jklos at umd.edu jklos at umd.edu
Wed Sep 2 12:58:47 BST 2009


Dear Molpro Users/Developers

Are there any plans or ongoing work to add magnetic properties, like
NMR shielding , s-s constants etc to Molpro?  I don't see anything about these
properties in the manual.  
G03, Qchem or Dalton have such features, so one has to switch between programs 
to get these properties.

Best
Jacek Klos



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