Table 2 Frequencies (cm−1) and infrared (IR) intensities (km mol−1) of the C-C, C-H, and C-O bonds in stretching vibrational mode and the O-H bond wagging vibrational mode for lactic acid.

From: Ab initio Molecular Dynamics Simulation Study of Dissociation Electron Attachment to Lactic Acid and Isomer

 

C-C

C-O

C-H

O-H

Freq.

IR Intena

Freq.

IR Inten.

Freq.

IR Inten.

Freq.

IR Inten

6-31 + G(d,p)

787.47

14.85

1348.79

51.93

1825.59

299.40

1178.43

369.33

6-311++G(2d,2p)

787.69

15.88.

1348.85

56.82

1822.21

311.55

1178.96

370.23

Aug-cc-pVDZ

787.75

15.42

1348.92

56.68

1821.77

308.83

1178.47

369.68

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