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

HF/6-311G*

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' 3381 3058   -2 A'   3060  
2 A' 3340 3021   -39 A'   3060  
3 A' 3321 3003   -12 A'   3015  
4 A' 3297 2982   -16 A'   2998  
5 A' 3294 2979   -19 A'   2998  
6 A' 3270 2958   20 A'   2938  
7 A' 3178 2874   -45 A'   2919  
8 A' 1889 1708   52 A'   1656  
9 A' 1807 1634   32 A'   1602  
10 A' 1626 1471   26 A'   1445  
11 A' 1598 1445   10 A'   1435  
12 A' 1555 1406   15 A'   1391  
13 A' 1512 1367   10 A'   1357  
14 A' 1437 1300   -0 A'   1300  
15 A' 1394 1261   7 A'   1254  
16 A' 1281 1158   -11 A'   1169  
17 A' 1151 1041   16 A'   1025  
18 A' 1023 926   -38 A'   964  
19 A' 943 853   13 A'   840  
20 A' 655 592   -35 A'   627  
21 A' 415 376   -26 A'   402  
22 A' 236 213   69 A'   144  
23 A" 3216 2909   -66 A"   2975  
24 A" 1618 1463   -8 A"   1471  
25 A" 1171 1059   50 A"   1009  
26 A" 1136 1028   31 A"   997  
27 A" 1100 995   74 A"   921  
28 A" 1051 950   44 A"   906  
29 A" 877 793   20 A"   773  
30 A" 696 629   2 A"   627  
31 A" 395 357   -99 A"   456  
32 A" 129 117   -54 A"   171  
33 A" 115 104           
The calculated vibrational frequencies were scaled by 0.9044

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.