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problem with NBO NEDA analysis

I am trying to compute NEDA analysis with this input using Firefly811:
\$SYSTEM MWORDS=80 kdiag=0  nojac=30 FASTF=.f. TIMLIM=100000 \$END
\$CONTRL  RUNTYP=ENERGY NOSYM=1  D5=.t. MAXIT=100000 \$END
\$CONTRL SCFTYP=UHF  DFTTYP=B3LYP \$END
\$p2p p2p=.t. dlb=.t. \$end
\$INTGRL NOPK=1 PACKAO=.true. NWORD=3000000 \$END
\$BASIS GBASIS=N311 NGAUSS=6 \$END
\$BASIS NDFUNC=1 \$END
\$TRANS AOINTS=DELETE \$END
\$CONTRL COORD=UNIQUE FSTINT=.TRUE.  gencon=.t. UNITS=ANGSTROM \$END
\$SCF NCONV=5 DIRSCF=.t. FDIFF=.F. DIIS=.T. SOSCF=.F. \$END
\$STATPT  METHOD=GDIIS  NSTEP=100000   \$END
\$GUESS kdiag=0  \$END
\$ELDENS  IEDEN=1  \$END
\$ELPOT   IEPOT=1  \$END
\$ELFLDG IEFLD=2 \$END
\$CUBE    CUBE=.T. mesh=coarse \$END
\$CONTRL ICHARG=0 MULT=1 \$END
\$license nbolid=xx nbokey=xxxxxxxx \$end
\$nbo \$end
\$DEL
ALPHA NEDA END
BETA NEDA END
\$END

But the program terminated at:
POINT  20           X           Y           Z   (BOHR)
28.281514  -12.802198    1.175385
EFX         EFY         EFZ         /EF/      (A.U.)
-0.005332    0.033299    0.004322    0.033999
EFGXX       EFGYY       EFGZZ       EFGXY       EFGXZ       EFGYZ
0.106759   -0.249943    0.143184    0.098635   -0.002788   -0.018470
*ERR* IO-02 input/output is already active

When I use old Firefly801, it works fine only that I got no charge transfer.

I had once raised this error with Firefly811.

Thanks

Tue Sep 13 '16 5:34am
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