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Danas
astdan@uaic.ro

I used the following input:
! ================================================================
! Input file for Firefly
! ================================================================
$CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE MAXIT=500 MULT=1 COORD=UNIQUE ICHARG=1 $END
$CONTRL DFTTYP=B3LYP1 $END
! $CONTRL EXETYP=CHECK $END
$SYSTEM TIMLIM=6000 MEMORY=8000000 $END
$BASIS GBASIS=N31 NGAUSS=6 $END
$BASIS NPFUNC=1 NDFUNC=1 $END
$BASIS DIFFSP=.TRUE.  $END
$STATPT OPTTOL=1e-006 NSTEP=500 HESS=CALC IHREP=10 HSSEND=.TRUE. $END
$FORCE VIBANL=.TRUE. $END
$DATA
Molecule specification
C1

While for small molecules (acetone, benzene, ethanol - of course, in the input file  without ICHARGE), firefly worked properly , for the molecule with that you may see in the attachment I got the error above. Also, it was a very time consuming process.
My goal is to find the vibration nodes (for the infrared spectra) of the molecule(s) using DFT with the basis set 6-31+G(p,d).
I still struggle to find a way in order to speed-up the process of calculation and how to avoid the error. I think that there is something superfluous in my input file.
Thank you in advance.

This message contains the 2 kb attachment [ carbocation.inp ] Carbocation opt+vibrational