Table 3 Frequencies (cm−1) and IR intensities (km mol−1) of the C-C and C-H bond stretching vibration modes and the C-O and O-H wagging vibrational modes for the isomer.

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)

812.65

13.14

1410.97

117.71

1795.84

302.73

1152.53

303.11

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

811.66

12.68

1404.89

103.96

1791.09

307.55

1147.01

326.72

Aug-cc-pVDZ

811.54

12.51

1402.92

101.60

1790.66

304.94

1144.28

313.86

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