Dear Turbomole experts,

I have tried optimisation of molecular geometry followed by vibrational frequency calculation via aoforce in TM V.7.6.

With ECP/DFT - functional mpsts-noa2, basis set def-TZVPP, molecule NUHFI.

I got an error message:

"PREPARING NUMERICAL INTEGRATION

Remaining core memory for DFT = 475 MB

Memory needed per atom = 870 KiB

i. e. 5 atoms per loop

Calculating ground state density on molecular grid

Invalid value of nfun ( 223 ) in <mgga_r0>!

========================

internal module stack:

------------------------

force

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abnormal termination

force ended abnormally

"

What is wrong and how can I work that around, please?

Best regards,

JakubV