Hello,

I am trying to run a CASSCF calculations. I first optimized my structure at DFT level and calculater the QRO. Then I set the input for CASSCF job as following:

! def2-TZVPD def2/JK def2-TZVPD/C CPCM(Acetonitrile) RI-JK NoUseSym MOread LARGEPRINT UNO

%moinp "test_QRO_rot.gbw" end

%casscf

NEL 12

NORB 10

mult 1

nroots 5

trafostep ri

nevpt2 sc

end

%method

Grid 7 # Lebedev 770 points (very large)

end

%scf

maxiter 1000

ConvForced false

end

* xyzfile 1 1 test.xyz

where test_QRO_rot.gbw is the file containing the rotated QRO orbitals and test.xyz the file containing the optimized structure at the DFT level.

I submit the job using the orca_casscf command, and I get this error in the output file:

ORCA-CASSCF

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

[file orca_casscf/cas_read.cpp, line 2446]: ERROR (ORCA_CASSCF): cannot read NEL,NORB

could you please help e figure out what my mistake is?

Thanks in advance