Could you provide more details about this failure? For example, did the job converged first, computed gradients, too and later stopped?
I am asking this question since, after minor modification to the input file, I see the job running without issues.
Here is a snippet of the changes
#basisset changed to spherical
basis spherical
* library 6-31G*
end
dft
maxiter 500
xc b3lyp
smear
convergence ncydp 0 damp 45 dampon 1d99 dampoff 1d-4
iterations 1000
disp vdw 3
end
driver
maxiter 500
end
set quickguess t
task dft optimize
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