Example: GO cyclobutadiene unpaired electrons
*********************************************

"Download GO_cyclobutadiene_unpairedelectrons.run"

   #!/bin/sh

   AMS_JOBNAME=singlet $AMSBIN/ams << eor

   Task GeometryOptimization

   GeometryOptimization
      Convergence Gradients=1.0e-5
      CoordinateType Cartesian
   End

   System
       Atoms
           C         0.6  0.8  0.00000000
           C        -0.6  0.8  0.00000000
           C        -0.6 -0.8  0.00000000
           C         0.6 -0.8  0.00000000
           H         1.4  1.4  0.00000000
           H        -1.4  1.4  0.00000000
           H        -1.4 -1.4  0.00000000
           H         1.4 -1.4  0.00000000
       End
   End

   Engine DFTB
      Model SCC-DFTB
      ResourcesDir DFTB.org/mio-1-1
      Occupation
         Strategy aufbau
      End
      UnpairedElectrons 0
   EndEngine

   eor


   AMS_JOBNAME=triplet $AMSBIN/ams << eor

   Task GeometryOptimization

   GeometryOptimization
      Convergence Gradients=1.0e-5
      CoordinateType Cartesian
   End

   System
       Atoms
           C         0.6  0.8  0.00000000
           C        -0.6  0.8  0.00000000
           C        -0.6 -0.8  0.00000000
           C         0.6 -0.8  0.00000000
           H         1.4  1.4  0.00000000
           H        -1.4  1.4  0.00000000
           H        -1.4 -1.4  0.00000000
           H         1.4 -1.4  0.00000000
       End
   End

   Engine DFTB
      Model SCC-DFTB
      ResourcesDir DFTB.org/mio-1-1
      Occupation
         Strategy aufbau
      End
      UnpairedElectrons 2
   EndEngine

   eor

