Commit a477a57
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DALTON: set molecule/basis print level for moment of inertia tensor
This is the geometry from Gaussian09/irc_point.log, run with and without
symmetry. The original Gaussian calculation was run without symmetry. With
symmetry, DALTON automatically detects the largest Abelian subgroup as Cs,
same as Gaussian with symmetry. Gaussian with `symm=loose` detects C3v.1 parent 780a1ae commit a477a57
5 files changed
Lines changed: 3492 additions & 0 deletions
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- DALTON/DALTON-2018
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