Hello these are the keywords of the input file
RHF DLPNO-CCSD(T) cc-pVTZ cc-pVTZ/C NormalPrint VeryTightSCF TightPNO SVP freq Usesym
%maxcore 8000
%scf
MaxIter 125
CNVDIIS 1
CNVSOSCF 1
end
the termination error is:
ORCA terminated due to termination error in MDCI.
Call command: /software/LNS/orca/orca/orca_5_0_0/bin/orca_mdci
ORCA terminated due to termination error in NUMCALC
ORCA terminated by error in GTOInt
and failed to read Hessian file
what can I do or how can I calculate the Hessian?