Compare vibrational frequencies in CCCBDB for C_{5}H_{12} (Propane, 2,2dimethyl)
PBEPBE/6311G*
17 05 22 16 49
Frequency in cm^{1}

Calculated 

Experimental 
Mode Number 
Symmetry 
Frequency 
diff 
Symmetry 
Frequency 
Comment 
1 
A_{1} 
2934 
25 
A_{1} 
2909 

2 
A_{1} 
1386 
5 
A_{1} 
1381 

3 
A_{1} 
717 
16 
A_{1} 
733 

4 
A_{2} 
252 
54 
A_{2} 
198 

5 
E 
2997 
42 
E 
2955 

6 
E 
1447 
4 
E 
1451 

7 
E 
1054 
55 
E 
999 

8 
E 
328 
7 
E 
335 

9 
T_{1} 
2996 
21 
T_{1} 
2975 

10 
T_{1} 
1439 
22 
T_{1} 
1461 

11 
T_{1} 
931 
1 
T_{1} 
932 

12 
T_{1} 
317 
114 
T_{1} 
203 

13 
T_{2} 
3001 
42 
T_{2} 
2959 

14 
T_{2} 
2926 
50 
T_{2} 
2876 

15 
T_{2} 
1478 
3 
T_{2} 
1475 

16 
T_{2} 
1346 
26 
T_{2} 
1372 

17 
T_{2} 
1232 
24 
T_{2} 
1256 

18 
T_{2} 
911 
14 
T_{2} 
925 

19 
T_{2} 
410 
8 
T_{2} 
418 

The calculated vibrational frequencies were scaled by 0.9896
See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.