Update regressionfiles.txt with May A's file (Issue #123)
ORCA: fix for TD calc if symmetry isn't specified

* Create etsecs, etenergies, and etsyms if etenergies doesn't exist.
  Previously, these were only created if SINGLETS was in the TD-DFT/TDA
  EXCITED header.

* Be more explicit about etsyms: Singlet, Triplet, or Not specified
Merge pull request #124 from ATenderholt/regressions

Handle ORCA TD singlets-only calculation
Regressions: add logfile from #116