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December 12, 2019

NMR Spectrum not working for ORCA Log Out | Topics | Search
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WebMO Support Forum » Bug Reports » WebMO Version 15.X » NMR Spectrum not working for ORCA « Previous Next »

Author Message
Cu Phung
Unregistered guest
Posted on Thursday, November 19, 2015 - 1:52 pm:   

I calculated the NMR spectrum in GAMESS, GAUSSIAN, and ORCA. I was able to display them in both GAMESS and GAUSSIAN, however, the button does not work for ORCA. Please let me know what is wrong with it.
Thanks!
Anonymous
 
Posted on Thursday, February 11, 2016 - 7:55 pm:   

Saddly, the NMR calculations has been temporarily disabled in Orca (at least those using GIAO).

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