Table 3: Methanol results for IR active bands with intensity (km/mol) in parentheses. For the last colmumn, qualitative intensities are reported: $\rm VS=very\ strong$ , $\rm S=strong$ , $\rm M=medium$ , $\rm W=weak$ , $\rm liq=seen$ in liquids, $\rm OV=overtone$ .
Assignment MP2 MP2 B3LYP B3LYP Experimental

6-311++G* 6-311++G** 6-311++G* 6-311++G**

Torsion 324.12 (160.2) 311.54 (131.4) 313.24 (154.6) 297.16 (134.7) 295

$\nu$ CO 1075.05 (125.4) 1074.89 (119.5) 1047.66 (133.1) 1041.68 (128.2) 1033 (VS)

CH₃ rock 1088.66 (8.0) 1096.56 (2.5) 1070.55 (3.0) 1070.36 (1.1) 1060 (W)

CH₃ rock 1196.08 (0.4) 1195.13 (0.6) 1175.18 (0.4) 1167.45 (0.2) 1165 (liq)

$\delta$ OH 1386.47 (23.5) 1379.54 (19.1) 1367.88 (23.9) 1356.19 (20.9) 1345 (S)

$\delta$ CH 1518.71 (4.3) 1508.41 (6.7) 1490.55 (5.3) 1479.56 (5.1) 1455 (M)

$\delta$ CH 1536.43 (3.8) 1517.24 (2.6) 1509.42 (3.3) 1493.48 (3.3) 1477 (M)

$\delta$ CH 1547.70 (5.4) 1532.75 (4.4) 1520.51 (5.1) 1505.00 (5.1) 1477 (OV)(M)

$\nu$ CH₃ (Sym) 3056.76 (60.4) 3055.24 (58.8) 2994.31 (74.2) 2990.00 (68.2) 2844 (S)

$\nu$ CH₂ (Asym) 3128.49 (53.9) 3125.13 (52.5) 3041.81 (72.3) 3037.48 (63.6) 2960 (S)

$\nu$ CH (Asym) 3202.85 (23.1) 3190.33 (24.0) 3125.40 (30.6) 3112.85 (27.3) 3000 (M)

$\nu$ OH 3848.98 (21.5) 3913.81 (36.1) 3789.46 (12.4) 3847.26 (30.0) 3681 (M)

**Table 3:** Methanol results for IR active bands with intensity (km/mol) in parentheses. For the last colmumn, qualitative intensities are reported: $\rm VS=very\ strong$ , $\rm S=strong$ , $\rm M=medium$ , $\rm W=weak$ , $\rm liq=seen$ in liquids, $\rm OV=overtone$ .
Assignment	MP2	MP2	B3LYP	B3LYP	Experimental
	6-311++G*	6-311++G**	6-311++G*	6-311++G**
Torsion	324.12 (160.2)	311.54 (131.4)	313.24 (154.6)	297.16 (134.7)	295
$\nu$ CO	1075.05 (125.4)	1074.89 (119.5)	1047.66 (133.1)	1041.68 (128.2)	1033 (VS)
CH₃ rock	1088.66 (8.0)	1096.56 (2.5)	1070.55 (3.0)	1070.36 (1.1)	1060 (W)
CH₃ rock	1196.08 (0.4)	1195.13 (0.6)	1175.18 (0.4)	1167.45 (0.2)	1165 (liq)
$\delta$ OH	1386.47 (23.5)	1379.54 (19.1)	1367.88 (23.9)	1356.19 (20.9)	1345 (S)
$\delta$ CH	1518.71 (4.3)	1508.41 (6.7)	1490.55 (5.3)	1479.56 (5.1)	1455 (M)
$\delta$ CH	1536.43 (3.8)	1517.24 (2.6)	1509.42 (3.3)	1493.48 (3.3)	1477 (M)
$\delta$ CH	1547.70 (5.4)	1532.75 (4.4)	1520.51 (5.1)	1505.00 (5.1)	1477 (OV)(M)
$\nu$ CH₃ (Sym)	3056.76 (60.4)	3055.24 (58.8)	2994.31 (74.2)	2990.00 (68.2)	2844 (S)
$\nu$ CH₂ (Asym)	3128.49 (53.9)	3125.13 (52.5)	3041.81 (72.3)	3037.48 (63.6)	2960 (S)
$\nu$ CH (Asym)	3202.85 (23.1)	3190.33 (24.0)	3125.40 (30.6)	3112.85 (27.3)	3000 (M)
$\nu$ OH	3848.98 (21.5)	3913.81 (36.1)	3789.46 (12.4)	3847.26 (30.0)	3681 (M)

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