| 5:32:36 PM PST - Sat, Feb 14th 2015 |
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You have set
do_gasphase false
Hence you are doing a COSMO calculation where you are embedding you system in a field of point charges to represent the solvent. But now you are calculating the embedding charges from a unconverged charge density. At that point anything can happen.
I would recommend running the gas phase calculation first. That might help a lot. Suppressing the gas phase calculation is a good idea for example in geometry optimizations where you have a sensible wavefunction from the previous point. For a single point calculation it is not recommended.
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