I'm trying to do [8 Orbital composition analysis --> 7 Orbital composition analysis by natural atomic orbital (NAO) method] via ORCA5.0+NBO7 programs.
My input files are like below
! PBE tightscf nbo
%nbo
NBOKEYLIST = "$NBO NAOMO AONAO DMNAO $END"
end
%pal nprocs 4 end
%maxcore 6000
* xyz 0 1
c 0 0 0
o 0 0 1.128
*
and with this input,
I got this error message --> [ Error: Cannot found natural population analysis information in the input file!]
Any ideas for solving this issue?
* I loaded .gbw file after setting orca_2mkl path to the setting.ini file.
Thank you for the help.
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