Yes, the calculation using the input prepared by Dr. Edoapra works, which requires 257 steps to converge.
A sequential run gives
Total DFT energy = -181.256727471069
One electron energy = -836.262507968341
Coulomb energy = 431.344711790476
Exchange-Corr. energy = -27.912812483271
Nuclear repulsion energy = 251.573881190067
Numeric. integr. density = 59.999995342134
...
moments of inertia (a.u.)
------------------
2653.892412861391 0.000000000000 0.000000000000
0.000000000000 2653.892412861391 0.000000000000
0.000000000000 0.000000000000 3339.214285686515
Total iterative time = 493.0s
...
Are these reasonable?
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