amir barazande
barazandeamir@gmail.com
Here is my inp-file content:
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$CONTRL SCFTYP=RHF RUNTYP=HESSIAN $END
$CONTRL EXETYP = RUN MOLPLT=.TRUE. $END
$BASIS GBASIS=STO NGAUSS=3 $END
$DATA
BenxeneHessian
C1
C 6.0 -0.50394 0.12775 -0.07763
C 6.0 0.70416 -0.56975 -0.07763
C 6.0 0.70416 -1.96475 -0.07763
C 6.0 -0.50394 -2.66225 -0.07763
C 6.0 -1.71204 -1.96475 -0.07763
C 6.0 -1.71204 -0.56975 -0.07763
H 1.0 -0.50394 1.22745 -0.07763
H 1.0 1.65656 -0.01985 -0.07763
H 1.0 1.65656 -2.51465 -0.07763
H 1.0 -0.50394 -3.76195 -0.07763
H 1.0 -2.66444 -2.51465 -0.07763
H 1.0 -2.66444 -0.01985 -0.07763
$END
$SCF DIRSCF=.TRUE. $END
$STATPT NSTEP=200 $END
$FORCE METHOD=ANALYTIC $END
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Thanks in advance
/Amir
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