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Compare vibrational frequencies in CCCBDB for C5H8 (1,3-Pentadiene, (Z)-)

LSDA/6-31G(2df,p)

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 3182 3131   71 A'   3060  
2 A' 3098 3049   -11 A'   3060  
3 A' 3086 3037   22 A'   3015  
4 A' 3081 3031   33 A'   2998  
5 A' 3076 3027   29 A'   2998  
6 A' 3067 3018   80 A'   2938  
7 A' 2966 2919   -0 A'   2919  
8 A' 1702 1675   19 A'   1656  
9 A' 1646 1620   18 A'   1602  
10 A' 1421 1398   -47 A'   1445  
11 A' 1402 1380   -55 A'   1435  
12 A' 1347 1325   -66 A'   1391  
13 A' 1325 1304   -53 A'   1357  
14 A' 1255 1235   -65 A'   1300  
15 A' 1235 1216   -38 A'   1254  
16 A' 1159 1140   -29 A'   1169  
17 A' 1027 1010   -15 A'   1025  
18 A' 951 936   -28 A'   964  
19 A' 892 878   38 A'   840  
20 A' 599 589   -38 A'   627  
21 A' 376 370   -32 A'   402  
22 A' 218 214   70 A'   144  
23 A" 3025 2977   2 A"   2975  
24 A" 1398 1376   -95 A"   1471  
25 A" 1008 992   -17 A"   1009  
26 A" 1002 986   -11 A"   997  
27 A" 956 941   20 A"   921  
28 A" 885 871   -35 A"   906  
29 A" 787 775   2 A"   773  
30 A" 632 622   -5 A"   627  
31 A" 350 344   -112 A"   456  
32 A" 166 164   -7 A"   171  
33 A" 133 131           
The calculated vibrational frequencies were scaled by 0.984

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.