obthermo — extract the thermochemistry for a molecule

       Open Babel is developed by a cast of many, including currrent maintainers Geoff Hutchison, Chris  Morley,
       Michael Banck, and innumerable others who have contributed fixes and additions.  For more contributors to
       Open Babel, see <http://openbabel.org/wiki/THANKS>

       Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
       Some portions Copyright (C) 2001-2008 by Geoffrey R. Hutchison and other contributors.

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Open Babel 3.1                                    Oct 10, 2019                                       obthermo(1)

       The  obthermo  tool  can  be  used  to  extract  the  thermochemistry,  e.g. enthalpy and Gibbs energy of
       formation, and the standard entropy from e.g. a Gaussian calculation.

       obthermo — extract the thermochemistry for a molecule

--symmN
             override symmetry number used in input file

       --nrotN
             number of rotatable bonds for conformational entropy

       --dbdtx
             temperature derivative of second virial coefficient for cp calculation

       --kj  output kJ/mol related units (default kcal/mol)

obabel(1).

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obthermo [options] filename