ZORA fails with external point charges


Click here for full thread
Forum Vet
Jacek,
If the point charges are moved out the geometry block to the bq block, the calculation does not crash


  geometry system units angstroms nocenter noautoz noautosym
    symmetry c1
   c +0.00000000   +0.00000000     +0.00000000
   h -0.21385373   +0.98738914     +0.39826283
   h -0.78597592   -0.69448290     +0.28059107
   h +0.09050298   +0.04455726     -1.08102723
end
bq
  5.430941   5.430941 105.430941 50.
  5.430941   5.430941 -94.569059  50.
end