NBO7 unable to deal with cummulenic C18?

NBO7 unable to deal with cummulenic C18?

Postby dszczpnk » Fri Apr 10, 2020 12:30 am

Dear Eric,
For unknown reason I am unable to perform calculations for cummulenic C18 (wB97XD/def2TZVP) using Gaussian 16.C.01 and the current (Feb, 2020) version of NBO7 (did not try previous ones); the NBO7 program displays the following error "SYMOPS: generated 72 symmetry operator(s) for D9h but expected 36". I tried with Symmetry=Loose and Symmetry=None but every time get the same error.
Thank you in advance for your help.
Healthy regards,

Darek
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