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fixing dihedral angles with IFZMAT

Vitaly
korepanov@nctu.edu.tw


Dear colleagues,
I am trying to optimize the structure with two dihedral angles fixed. But during the optimization I see them changing quite significantly.
The angles are for atoms 17,8,14,1 and 8,14,1,9 Am I doing something wrong?
Could you please check my input? Here are the first lines, the rest in attachment

$CONTRL SCFTYP=RHF DFTTYP=PBE0 RUNTYP=optimize ICHARG=+1 $END
$SYSTEM MWORDS=480 $END
$SCF DIRSCF=.T. $END
$BASIS EXTFIL=.T. GBASIS=cc-pvtz $END
$FORCE NVIB=2 $END
$ZMAT DLC=.T. AUTO=.T. IFZMAT(1)=3,17,8,14,1, 3,8,14,1,9 AUTOFV=.T. $END
$DATA
cbmim ccPVTZ
C1                                                                              
NITROGEN  7.    -0.16486493    6.79410735   10.78558556

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