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ob2-1-1
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(c) 2017, Marcus Elstner, Karlsruher Institut für Technologie
All rights reserved

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International License. To view a copy of this license, consult the LICENSE file
or visit http://creativecommons.org/licenses/by-sa/4.0/ .

NOTE: The rights holder(s) for this work explicitly require that the attribution
conditions of this license are enforced. Use in part or in whole of this data is
permitted only under the condition that the scientific background of the
Licensed Material will be CITED IN ANY PUBLICATIONS ARISING FROM ITS USE. The
required references are specified in this file and must be included in resulting
works.


Description
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This set of parameters is part of the Parametrization for Organic and Biological
Molecules (OB2) has been specifically designed for Long-range Corrected Density
Functional Tight Binding (LC-DFTB2).  Comprehensive benchmark tests for C-H-N-O
can be found in J. Chem. Theory Comput., 2018, 14 (1), pp 115–12. Please also
consult the paper for the details and use cases of the various sets (base,
shift, split).

The elements should be used with following maximal angular momenta:

H:s, C: p, N: p, O: p


PUBLICATIONS TO BE CITED
[JCTC2018]   J. Chem. Theory Comput., 2018, 14 (1), pp 115–12, 
             DOI: http://dx.doi.org/10.1021/acs.jctc.7b00947