SCF convergence problems


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Forum Vet
Please use this input file
...
...
   H       18.02696       -5.79382       10.21991
end

driver
  maxiter 100
  loose
end


basis  spherical
 * library 6-31G*
end


dft
  maxiter 500
  xc b3lyp
  mult 1
  disp vdw 3
  smear
  convergence ncydp 0 damp 45 dampon 1d99 dampoff 1d-4
  vectors input atomic output b3lyp0.movecs
end

set quickguess t

task dft optimize