January 2021

These are the vibrational modes as of January 2021.

Checks have been made against primary, secondary and tertiary alkane, radicals next to a double bond, alcohol and carbonyl group

This is a modified version from the original data source for JThermodynamics. As of January 2020, this is still work in progress:

CH-Stretch CH-Bond 3100.0 -1C.H-Stretch C.H-Bond 3100.0 -1NH-Stretch NH-Bond 3100.0 1N.H-Stretch N.H-Bond 3100.0 1SH-Stretch SH-Bond 2600.0 1S.H-Stretch S.H-Bond 2600.0 1CC-Stretch CC-Bond 1000.0 -1C.C-Stretch C.C-Bond 1000.0 -1CF-Stretch CF-Bond 1100.0 1C.F-Stretch C.F-Bond 1100.0 1CCl-Stretch CCl-Bond 650.0 1CI-Stretch CI-Bond 500.0 1C.I-Stretch C.I-Bond 500.0 1CHH-ResonantPrimaryBend PrimaryResonantCarbonRadial 1450 2CHH-ResonantSecondaryBend SecondaryResonantCarbonRadial 1450.0 1CCC-ResonantTertiaryBend TertiaryResonantCarbonRadial 420.0 2CCC-ResonantTertiaryResonantBend TertiaryResonantCarbonRadial 420.0 -2CCH-ResonantTertiaryBend TertiaryResonantCarbonRadial 1150.0 2CC-ResonantTertiaryStretch TertiaryResonantCarbonRadial 1300.0 2COH-Bend AlcoholOnCarbon 1200.0 1OH-StretchOnCarbon AlcoholOnCarbon 3100.0 1OOH-Bend EtherGroup 1200.0 1OH-StretchForEther EtherGroup 3100.0 1OH-StretchOnCarbon AlcoholOnCarbon 3100.0 1COH-ResonantBend ResonantOxiRadical 1200.0 1OH-ResonantStretch ResonantOxiRadical 3100.0 1HCO-Bend-op CarbonylRadicalOnSingleCarbon 1150.0 1CCH-BendOnAldehyde CarbonylRadicalOnSingleCarbon 700.0 1CH-StretchOnAldehyde CarbonylRadicalOnSingleCarbon 3100.0 1CCH-BendOnAldehydeOnDoubleBond CarbonylRadicalOnDoubleCarbon 1150.0 1CH-StretchOnAldehydeOnDoubleBond CarbonylRadicalOnDoubleCarbon 3100.0 1COC-p-CarbonEtherRadicalResonantRadicalBend p-CarbonEtherRadicalResonant 400.0 1COH-p-CarbonEtherRadicalResonantBend p-CarbonEtherRadicalResonant 1187.0 1CCH-p-CarbonEtherRadicalResonantRadicalBend-op p-CarbonEtherRadicalResonant 700.0 1COC-p-CarbonEtherRadicalResonantBend p-CarbonEtherRadicalResonant 400.0 -1CCH-p-CarbonEtherRadicalResonantBend-tw p-CarbonEtherRadicalResonant 1150.0 -2CHH-p-CarbonEtherRadicalResonantBend p-CarbonEtherRadicalResonant 1450.0 -1CCH-p-CarbonEtherRadicalResonantBend-rk p-CarbonEtherRadicalResonant 700.0 -1CH-p-CarbonEtherRadicalResonantStretch p-CarbonEtherRadicalResonant 3100.0 -1CC-p-CarbonEtherRadicalResonantStretch p-CarbonEtherRadicalResonant 1000.0 -1CC-p-CarbonEtherRadicalResonantRadicalStretch p-CarbonEtherRadicalResonant 1300.0 -1CCC-s-CarbonEtherRadicalResonantRadicalBend s-CarbonEtherRadicalResonant 420.0 1COC-s-CarbonEtherRadicalResonantRadicalBend s-CarbonEtherRadicalResonant 200.0 1COC-s-CarbonEtherRadicalBend s-CarbonEtherRadicalResonant 400.0 -1CCC-s-CarbonEtherRadicalBend s-CarbonEtherRadicalResonant 420.0 -1CCH-s-CarbonEtherRadicalBend s-CarbonEtherRadicalResonant 1150.0 -1COH-s-CarbonEtherRadicallBend s-CarbonEtherRadicalResonant 1187.0 -1CH-s-CarbonEtherRadicallBend s-CarbonEtherRadicalResonant 1187.0 -1CC-s-CarbonEtherRadicallBend s-CarbonEtherRadicalResonant 1187.0 -1CC-s-CarbonEtherRadicallResonantBend s-CarbonEtherRadicalResonant 1187.0 -1

CCHPrimary(tw)-Bend GeneralPrimaryCH3C 1150.0 -3CCHPrimary(tw)-BendRadical.CCH GeneralPrimaryCH3C. 1150.0 -3CCHSecondary(tw)-Bend GeneralSecondaryCH2C2 1150.0 2CCHSecondary(tw)-BendRadical.CCH GeneralSecondaryCH2CC. 1150.0 1CCHSecondary-Bend GeneralSecondaryCH2C2 1150.0 -4CCHSecondary-BendRadical.CCH GeneralSecondaryCH2CC. 1150.0 -2CCHTertiary-Bend GeneralTertiaryCHC3 1150.0 3CCHTertiary-BendRadical.CCH GeneralTertiaryCHC2C. 1150.0 1CCHSecondary(op)-Bend GeneralSecondaryCH2C2 700.0 -4CCHSecondary(op)-BendRadical.CCH GeneralSecondaryCH2CC. 700.0 -2CCHPrimary(rk)-Bend GeneralPrimaryCH3C 1150.0 3CCHPrimary(rk)-BendRadical.CCH GeneralPrimaryCH3C. 1150.0 3CCHSecondary(rk)-Bend GeneralSecondaryCH2C2 700.0 4CCHSecondary(rk)-BendRadical.CCH GeneralSecondaryCH2CC. 700.0 2CHH-Bend CHHStructure 1450.0 2CHH-Bend-RadicalCompC.HH C.HHStructure 1450.0 2 CH-Stretch CH-Bond 3100.0 1CH-Stretch-RadicalCompC.H C.H-Bond 3100.0 1CC-ResonantStretch PrimaryResonantCarbonRadial 1000.0 -2C.C-ResonantStretch PrimaryResonantCarbonRadial 1300.0 2CHC=C-Bend(op) GeneralCC.=CGroup 700.0 -1H2C=C-Bend(tw) GeneralHC.=CGroup 1150.0 -0.5H2C=C-Bend GeneralHC.=CGroup 1150.0 1OHCCHRadicalPrimary(tw)-Bend RadicalPrimaryAlcohol 1150.0 -0.5OHCCHRadicalPrimary(op)-Bend RadicalPrimaryAlcohol 700.0 1OHCCHRadicalPrimary(rk)-Bend RadicalPrimaryAlcohol 700.0 -1COH-Bend AlcoholOnCarbon 1200.0 1COH-Bend-RadicalComp AlcoholOnCarbonRadical 1200.0 1OH-StretchOnCarbon-RadicalComp AlcoholOnCarbonRadical 3100.0 1OH-StretchOnCarbon AlcoholOnCarbon 3100.0 1H-C=OCarbonylBend(op) CarbonylRadical 700 1CCH-Carbonyl CarbonylRadicalOnCarbon 1150.0 -1CCH-CHEtherRadicalBend-op PrimaryCarbonEtherRadical 700.0 1CCH-CHEtherRadicalBend-tw PrimaryCarbonEtherRadical 1150.0 -0.5CCH-CHEtherRadicalBend-rk PrimaryCarbonEtherRadical 700.0 -1COH-CHEtherRadicalBend PrimaryCarbonEtherRadical 1187.0 1CCH-CCEtherRadicalBend SecondaryCarbonEtherRadical 1150.0 -2COH-CCEtherRadicalBend SecondaryCarbonEtherRadical 1187.0 -2CC-ResonantSecondaryStretch SecondaryResonantCarbonRadial 1000.0 -1C.C-ResonantSecondaryStretch SecondaryResonantCarbonRadial 1300.0 1CCC-ResonantSecondaryBend SecondaryResonantCarbonRadial 420 1CCC-ResonantSecondaryResonantBend SecondaryResonantCarbonRadial 420 -1

The following are some of the special structures that were needed:

c(.)//ch C.=CHStructure VibrationalStructurec//ch C=CHStructure VibrationalStructurec(oh)h2/c GeneralPrimaryAlcohol VibrationalStructurec(oh)hc/c GeneralSecondaryAlcohol VibrationalStructurec(oh)h(.)/c RadicalPrimaryAlcohol VibrationalStructurec(oh)(.)c/c RadicalSecondaryAlcohol VibrationalStructureoh/c(.) AlcoholOnCarbonRadical VibrationalStructurec(.)//o CarbonylRadical VibrationalStructurec/c(.)//o CarbonylRadicalOnCarbon VibrationalStructurec/c(.)h/o/c PrimaryCarbonEtherRadical VibrationalStructurec/c(.)c/o/c SecondaryCarbonEtherRadical VibrationalStructurecR2//c/c(.)R2 GeneralResonantCarbon SymmetryElement