Actual CREST3.0.3 --forall --prop singlepoint/dipole/autoIR,corrected2recordbutaneC4H10pair. Originalanti symmetric saddle2imaginaries retainedFALSE;newnative xtbhess displacement repair thenchangedcoupledensemble retried (notpackagingrerun). BothcorrectedOHESS36positive;autoIRweightsfreeGat298.15K .7406/.2594,notinitialE. Nativecombined78rows6zero72sticks;displayLorentzwidth15separate. Necessary2directSPJSONchecks forprinted3decimaldipole rounding .00051D, oldethanol1e-4pointtarget remainsFALSE. Defaultrecompute startscorrectedvalidpair;badcontrolread-only,repairinputincludedmanual. GNUFortranMKLpersonalCREST/xTB6.7.1,56CPUreserved2threads.
