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

HF/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' 3377 3058   -2 A'   3060  
2 A' 3331 3017   -43 A'   3060  
3 A' 3311 2998   -17 A'   3015  
4 A' 3292 2981   -17 A'   2998  
5 A' 3285 2975   -23 A'   2998  
6 A' 3264 2956   18 A'   2938  
7 A' 3163 2864   -55 A'   2919  
8 A' 1892 1713   57 A'   1656  
9 A' 1813 1641   39 A'   1602  
10 A' 1610 1458   13 A'   1445  
11 A' 1588 1438   3 A'   1435  
12 A' 1542 1396   5 A'   1391  
13 A' 1505 1363   6 A'   1357  
14 A' 1428 1293   -7 A'   1300  
15 A' 1387 1256   2 A'   1254  
16 A' 1272 1152   -17 A'   1169  
17 A' 1140 1032   7 A'   1025  
18 A' 1019 923   -41 A'   964  
19 A' 939 850   10 A'   840  
20 A' 652 591   -36 A'   627  
21 A' 413 374   -28 A'   402  
22 A' 236 213   69 A'   144  
23 A" 3207 2904   -71 A"   2975  
24 A" 1600 1449   -22 A"   1471  
25 A" 1169 1059   50 A"   1009  
26 A" 1143 1035   38 A"   997  
27 A" 1108 1003   82 A"   921  
28 A" 1063 962   56 A"   906  
29 A" 885 802   29 A"   773  
30 A" 701 635   8 A"   627  
31 A" 398 360   -96 A"   456  
32 A" 143 129   -42 A"   171  
33 A" 120 109           
The calculated vibrational frequencies were scaled by 0.9055

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.