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university of cambridge  


   AM1 hessian calculation
Chemical Information Laboratory

GAMESS

AM1 Hessian calculation


 $CONTRL SCFTYP=RHF RUNTYP=HESSIAN UNITS=ANGS $end
 $SYSTEM TIMLIM=600000 MEMORY=2500000 $END
 $STATPT NSTEP=1000 $END
 $BASIS  GBASIS=AM1 $END
 $GUESS  GUESS=HUCKEL $END
 $DATA
 AM1/
 C1
 C    6.0    -0.55425   0.26820   0.00000
 C    6.0    -1.89375   0.26820   0.00000
 H    1.0    -2.46325  -0.67590   0.00000
 H    1.0    -2.46325   1.21220   0.00000
 H    1.0     0.01525   1.21220   0.00000
 C    6.0     0.23190  -1.03505   0.00000
 H    1.0     1.05485  -0.97420   0.75563
 H    1.0    -0.45095  -1.88253   0.25967
 H    1.0     0.66973  -1.20651  -1.01530
 $END



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