\begin{table}%[htb]%t7
\par
%\centering
\par
\caption{Comparison of the calculated frequencies of the
"vertical staggered"
CO$_2$:CH$_3$OH
complex with those of the monomers
(calculated and experimental). Experimental
values for methanol were measured by the authors
with the aparatus described in
Dartois et al. (\cite{Dartois99b}).
Calculated intensities (km~mol$^{-1}$) are in parentheses.
Qualitative experimental intensities
are: $\rm VS=very$ strong,
$\rm S=strong$, $\rm M=medium$, $\rm W=weak$, $\rm liq=seen$ in liquids, $\rm OV=overtone$.\label{complex_ir}}
\begin{tabular}{c c c c c c}\hline\hline
 & 	B3LYP	& Calculated	& B3LYP	& Calculated	& Experimental \\
 & 	6-311++G*	& Isolated (*)	& 6-311++G**	& Isolated (**)	& Isolated \\
\noalign{\smallskip} \hline \noalign{\smallskip}
\par
 	& 25.96 (13.6)	 	& & 24.11 (12.2) \\
Complex	& 40.41 (2.3)	 	& & 37.06 (2.2) \\
Specific	& 78.82 (12.0)	 	& & 75.42 (10.4) \\
Bands:	& 105.92 (0.7)	 	& & 98.62 (0.8) \\
 	& 157.34 (0.4)	 	& & 148.79 (0.6) \\
\hline 
Torsion	& 322.38 (143.8)	& 313.24 (154.6)	& 310.33 (128.2)	& 297.16 (134.7)	& 295 (gas) \\
\hline 
CO$_2$ in plane	& 649.16 (67.1)	& 668.59 (33.1)	& 651.36 (64.0)	& 668.59 (33.1)	& 667 \\
CO$_2$ OOP	& 673.41 (34.1)	& 668.59 (33.1)	& 672.77 (33.1)	& 668.59 (33.1)	& 667 \\
\hline 
$\nu$CO 	& 1050.56 (116.3)	& 1047.66 (133.1)	& 1043.50 (117.1)	& 1041.68 (128.2)	& 1033 (VS) \\
CH$_3$ rock	& 1074.60 (15.2)	& 1070.55 (3.0)	& 1069.96 (7.1)	& 1070.36 (1.1)	& 1060 (W) \\
CH$_3$ rock	& 1177.65 (0.5)	& 1175.18 (0.4)	& 1169.18 (0.3)	& 1167.45 (0.2)	& 1165 (liq) \\
$\delta$OH	& 1369.53 (10.2)	& 1367.88 (23.9)	& 1356.55 (17.0)	& 1356.19 (20.9)	& 1345 (S) \\
\hline 
CO$_2$ str. (sym)	& 1372.53 (13.1)	& 1372.96 (0.0)	& 1371.83 (1.1)	& 1372.96 (0.0)	& 1333 (sym) \\
\hline 
$\delta$CH	& 1488.06 (3.3)	& 1490.55 (5.3)	& 1477.58 (2.6)	& 1479.56 (5.1)	& 1455 (M) \\
$\delta$CH	& 1512.65 (3.7)	& 1509.42 (3.3)	& 1497.15 (3.6)	& 1493.48 (3.3)	& 1477 (M) \\
$\delta$CH	& 1522.65 (6.6)	& 1520.51 (5.1)	& 1506.87 (6.3)	& 1505.00 (5.1)	& 1477 (M)(OV) \\
\hline 
CO$_2$ str. (anti)	& 2417.68 (664.3)	& 2420.02 (711.6)	& 2418.36 (663.7)	& 2420.02 (711.6)	& 2349 (anti) \\
\hline 
$\nu$CH$_3$ (Sym)	& 3004.65 (71.5)	& 2994.31 (74.2)	& 2998.95 (65.8)	& 2990.00 (68.2)	& 2844 (S) \\
$\nu$CH$_2$ (Asym)	& 3056.47 (61.0)	& 3041.81 (72.3)	& 3050.46 (54.0)	& 3037.48 (63.6)	& 2960 (S) \\
$\nu$CH  (Asym)	& 3123.63 (22.3)	& 3125.40 (30.6)	& 3121.37 (19.1)	& 3112.85 (27.3)	& 3000 (M) \\
$\nu$OH	& 3798.69 (19.6)	& 3789.46 (12.4)	& 3848.97 (37.8)	& 3847.26 (30.0)	& 3681 (M) \\
\hline
\end{tabular}
\end{table}