Actual unmodified privateCREST3.0.3 standalone NUMHESS and SORT dispatcher, not old ohess or p_cregen aliases. NH3 input already optimized by xTB6.7.1. Six positive internal modes;1000 IR entries are display placeholders, NOT physical intensity. Standalone sorting reuses genuine ethanol conformer energies; rigid motions/permutations are declared geometry controls, not new quantum calculations. Default iRMSD allows inversion; not a chirality test. Read existing results: bash read.sh; bash plot.sh. New CPU jobs: bash submit.sh; work-new kept separate. No binaries, licensed files or successful physics replay for packaging.
