[molpro-user] NMR shielding

Maikel Ballester maikel.ballester at gmail.com
Wed May 18 17:13:37 CEST 2016


We are calculating NMR shielding tensors at DF-LMP2 level using GIAOs with
MOLPRO 2012.  We need tensors calculated at dummy atoms, however, we don't
know how to get the values at such points. Any idea or suggestion?


Maikel Y Ballester
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