Calculated IR spectrum of DCTCB. Results from B3LYP/6-31G**
DCTCB: 1,2-Dichloro-3-(trichloromethyl)benzene, C7H3Cl5, CAS 84613-97-8
Wavenumber/cm-1	Intensity/km mol-1
3260.3	1.63

3228.5	1.55

3208.6	3.98

1627.2	1.35

1615.9	3.97

1481.5	21.66

1437.8	72.92

1308.0	0.46

1248.8	10.11

1201.6	7.33

1183.5	80.86

1137.1	17.30

1066.3	34.97

986.4	0.06

925.6	3.16

914.0	17.65

809.4	2.04

774.9	86.07

748.5	34.43

746.9	183.69

702.4	28.47

674.2	72.50

551.4	14.41

517.6	0.30

501.1	18.93

470.9	2.15

406.3	2.49

380.0	1.75

332.4	0.04

292.2	0.57

264.0	0.18

249.6	0.98

230.3	0.05

213.3	0.24

209.0	0.93

153.5	0.20

145.6	0.06

61.3	0.00

51.7	0.47