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Basis set

Natalie
qn2992@gmail.com


Dear Firefly users,

I am trying to optimize the ground state of an anion species with DFT/B3LYP and PCM/water. However I received this error message as a started my calculation,

ERROR!  THERE ARE NO BASIS FUNCTIONS DEFINED.
CHECK YOUR $BASIS/$DATA INPUT FOR ERRORS.

My input is the following,

$CONTRL SCFTYP=RHF DFTTYP=B3LYP RUNTYP=OPTIMIZE ICHARG=1
 INTTYP=HONDO ICUT=11 MULT=2 $END
$SYSTEM MWORDS=200 $END
$BASIS GBASIS=N311 NGAUSS=6 NDFUNC=2 NFFUNC=1 NPFUNC=1
  DIFFSP=.t. $END
$PCM SOLVNT=H2O $END
$STATPT HSSEND=.T. NPRT=-2 $END
$DATA
opt with b3lyp/6-311+(2df,p)/water
C1
C       6       3.405660        -0.181600       -0.026420
H       1       2.004210        -0.415350       1.589180

Does this mean I need an external basis set?

Thank you,

Natalie



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