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

HF/6-31G*

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' 3413 3067   7 A'   3060  
2 A' 3366 3024   -36 A'   3060  
3 A' 3346 3006   -9 A'   3015  
4 A' 3331 2993   -5 A'   2998  
5 A' 3321 2984   -14 A'   2998  
6 A' 3296 2962   24 A'   2938  
7 A' 3198 2873   -46 A'   2919  
8 A' 1907 1714   58 A'   1656  
9 A' 1827 1641   39 A'   1602  
10 A' 1638 1471   26 A'   1445  
11 A' 1610 1446   11 A'   1435  
12 A' 1570 1411   20 A'   1391  
13 A' 1523 1369   12 A'   1357  
14 A' 1445 1299   -1 A'   1300  
15 A' 1403 1260   6 A'   1254  
16 A' 1288 1157   -12 A'   1169  
17 A' 1155 1038   13 A'   1025  
18 A' 1031 926   -38 A'   964  
19 A' 950 854   14 A'   840  
20 A' 657 591   -36 A'   627  
21 A' 416 374   -28 A'   402  
22 A' 238 213   69 A'   144  
23 A" 3240 2911   -64 A"   2975  
24 A" 1628 1463   -8 A"   1471  
25 A" 1179 1059   50 A"   1009  
26 A" 1148 1031   34 A"   997  
27 A" 1111 999   78 A"   921  
28 A" 1065 957   51 A"   906  
29 A" 883 793   20 A"   773  
30 A" 700 629   2 A"   627  
31 A" 396 356   -100 A"   456  
32 A" 135 121   -50 A"   171  
33 A" 117 105           
The calculated vibrational frequencies were scaled by 0.8985

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.