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sigma92286

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9Â¥: Originally posted by sigma92286 at 2011-11-30 17:30:45:
Rotational constants (GHZ):      0.0000000      1.1991643      1.1991643
Standard basis: SDD (6D, 10F)
The combination of multiplicity 2 and    54 electrons is impossible.
Error termination  ...

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"The combination of multiplicity 2 and    54 electrons is impossible"
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