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MCSCF convergence problem

manoj
chem.manoj@gmail.com


Hi all
I was trying to perform MCSCF treatment on an ozone molecule. Unfortunately MCSCF is not converging. please help in troublshooting the problem. Attached are the input and output files.

$CONTRL SCFTYP=MCSCF RUNTYP=ENERGY UNITS=ANGS EXETYP=RUN ICHARG=0
IREST=-1 MULT=1  fstint=.t. gencon=.t. d5=.t. $END
$SYSTEM TIMLIM=600 MEMORY=3300000 kdiag=0 nojac=100
mklnp=2 $END
$gugem pack2=.t. fastci=.t. $end
$ciinp castrf=.true. $end
$d5 d5=.true. f7=.true. $end
$trans mptran=2 dirtrf=.t. aoints=dist altpar=.t. mode=112 $end
$CONTROL icut=11 $end
$SCF DIRSCF=.T. DIIS=.T. NCONV=7 $END
$DRT GROUP=C1 FORS=.T. NMCC=8 NDOC=4 NVAL=4 $END
$GUGDIA NSTATE=1 ITERMX=350 $END
$MCSCF CISTEP=GUGA MAXIT=200 $END
$smp csmtx=.t. call64=1 $end
$p2p p2p=.t. dlb=.t. $end
$GUESS GUESS=MOREAD NORB=138 $END
$DATA

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