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   AM1 transition structure optimization (reading hessian)
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GAMESS

AM1 Transition Structure Optimization (reading Hessian)


 $CONTRL SCFTYP=RHF RUNTYP=SADPOINT UNITS=ANGS $end
 $SYSTEM TIMLIM=600000 MEMORY=2500000 $END
 $STATPT NSTEP=1000 HESS=READ $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
 $HESS
ENERGY IS      -17.1347059157 E(NUC) IS       33.5973889353
 1  1 9.38774324E-01 2.62085215E-02 3.26213391E-04-6.42352235E-01-1.45645240E-03
 1  2 5.35621682E-04-3.15381456E-02-1.02203225E-02-1.38573868E-04-3.07397171E-02
 1  3 9.77949894E-03-2.50891177E-05-1.10756923E-01-1.20484821E-01-1.51817131E-05
 1  4-1.10974079E-01 6.86608104E-02-2.00959056E-03-1.99077184E-02 2.38636944E-02
 1  5-7.35273364E-03 9.30387636E-03-8.54981997E-03 6.03472964E-04-1.00290413E-02
 1  6 1.74667412E-02 8.42605475E-03
 $END



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