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

HF/3-21G*

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' 3396 3065   5 A'   3060  
2 A' 3355 3028   -32 A'   3060  
3 A' 3333 3008   -7 A'   3015  
4 A' 3315 2992   -6 A'   2998  
5 A' 3306 2984   -14 A'   2998  
6 A' 3286 2966   28 A'   2938  
7 A' 3190 2879   -40 A'   2919  
8 A' 1881 1698   42 A'   1656  
9 A' 1813 1637   35 A'   1602  
10 A' 1663 1501   56 A'   1445  
11 A' 1626 1468   33 A'   1435  
12 A' 1584 1429   38 A'   1391  
13 A' 1555 1404   47 A'   1357  
14 A' 1478 1334   34 A'   1300  
15 A' 1430 1291   37 A'   1254  
16 A' 1296 1170   1 A'   1169  
17 A' 1181 1066   41 A'   1025  
18 A' 1024 924   -40 A'   964  
19 A' 929 838   -2 A'   840  
20 A' 676 611   -16 A'   627  
21 A' 434 392   -10 A'   402  
22 A' 248 224   80 A'   144  
23 A" 3227 2912   -63 A"   2975  
24 A" 1661 1499   28 A"   1471  
25 A" 1211 1093   84 A"   1009  
26 A" 1171 1057   60 A"   997  
27 A" 1150 1038   117 A"   921  
28 A" 1102 995   89 A"   906  
29 A" 902 814   41 A"   773  
30 A" 713 644   17 A"   627  
31 A" 399 360   -96 A"   456  
32 A" 129 116   -55 A"   171  
33 A" 109 98           
The calculated vibrational frequencies were scaled by 0.9026

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.