Gaussian-step

* Added B3LYP atom energies to the thermodynamics step.
* Expanded the properties to include essentially everything calculated by Gaussian.
* Added the ability to get the initial Hessian for an optimization from propertiesm
or from the checkpoint file.
* Improved the handling of the checkpoint file so by default it is saved and the
next substep uses it for initial guesses, etc.
* Added options to remove the checkpoint files at the end of the calculation.

2024.12.1.1: Bugfix: Typographical problems with the output.

* Access the FREQ command in Gaussian to calculation the thermodynamic functions.
* Added code and data for calculating enthalpy of formation for many computational
models including the 6-31G and 6-311G basis set families.
* Added output of timing data to the standard directory ~/.seamm.d/timing
* Cleaned up and standardized the names of result data

* Added properties for the energy and enthalpy, etc. from composite models.
* Protected the code from crashing is Gaussian failed.

* There were bugs in the code that caused errors when using short names, e.g. "HF"
or "CCD" for the method, or e.g. "B3LYP" for the density functional.

* Added the various semiempirical methods supported by Gaussian so they can be used
from SEAMM.

* Added ability to calculate the Wiberg bond order matrix and optionally use to set
the bond orders of the structure.
* Enhanced the optimization for transitions states to capture the vibrational
analysis if the second derivatives are calculated, and report on the stability of
the structure.