Quick fix for parsing basicGAMESS-US2012/water_cis_des.out (fixes #61)
Comment about TD absorption spectrum (concerning #46)
Increase tolerance on the maximum Raman intensity tested (to have ORCA pass)
ORCA: fix sp_un test calcs (correct charge/mult)
ORCA: parse scftargets for inner SCF cycles in geoopts
ORCA: get scftargets parsed after geometry optimization steps
Merge pull request #70 from langner/v1.2

The last two cherry-picks (GAMESS parser fix and note about ORCA TD parsing)
ORCA: append scfvalues and scftargets when SCF not converged, too (for #71, fixes regression ORCA2.8/co_cosmo.out)
ORCA: use coordinates for IR unit test take from basicGAMESS-US2012
Merge pull request #71 from langner/fix_orca

Fix most ORCA unit tests