PC GAMESS/Firefly-related discussion club


Calculating the Hessian

amir barazande
barazandeamir@gmail.com


Hi there!
I'm a newbe in the field, and i want to do a Hessian on Benzene.
But i get some kind of warning message from GAMESS in the out-file as below;
    *******************************************************
    * THIS IS NOT A STATIONARY POINT ON THE MOLECULAR PES *
    *     THE VIBRATIONAL ANALYSIS IS NOT VALID !!!       *
    *******************************************************
Could anybody give me a hint?
What do i do wrong(?)
How can i modify my input file in order to get rid of this message?

Here is my inp-file content:
-----------------------------------------------------------

$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
-----------------------------------------------
Thanks in advance
/Amir

This message contains the 103 kb attachment
[ hessianBenz.out ] Here is the output-file


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