Bugfix for PM7-TS and optimization, GUI clean up for CI calculations.

• Calculations using PM7-TS do not write information to the AUX file, so added code to get the energy from the output file.
• For optimizations, the option for the frequency of calculating the force constants and the maximum radius of convergence were missing from the GUI for the EF method. The frequency also was not being correctly handled in the input to MOPAC.
• The GUI for using CI calculations was cleaned up.