ORCA with UseSym: vibrations (and other properties) drawn in the wrong frame #312

Seen: ECCE 9.0.1, ORCA 6.1.1, ethanol PBE0/def2-SVP, Opt Freq with Raman, symmetry on (UseSym in the input). In the Builder's vibration panel the displacement vectors are detached from the atoms: most show as small discs away from the hydrogens, and one arrow points into an H atom.

Cause: with UseSym, ORCA moves the molecule into its own standard orientation ("symmetry-perfected Cartesians") and reports normal modes in that frame. ECCE draws them on the geometry in the input frame. Same input, final coordinates of the first carbon:

• with UseSym: (-1.247853, -0.293635, 0.000000)
• without: (0.027225, 0.009643, 0.027225)

Likely also affected: everything ORCA computes in its frame and ECCE draws on the geometry: MO and density surfaces, the dipole arrow, the polarisability ellipsoid.

Fix: after an ORCA job with symmetry, use ORCA's own final geometry (in ORCA's frame) for the calculation, so the geometry and every property agree; this also covers imported jobs. Add a test: a frequency run with UseSym whose displacement vectors start on the atoms. Check whether Gaussian 16's standard orientation is handled consistently.