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

HF/6-311+G(3df,2p)

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' 3363 3056   -4 A'   3060  
2 A' 3321 3018   -42 A'   3060  
3 A' 3300 2998   -17 A'   3015  
4 A' 3279 2979   -19 A'   2998  
5 A' 3274 2975   -23 A'   2998  
6 A' 3250 2953   15 A'   2938  
7 A' 3154 2866   -53 A'   2919  
8 A' 1868 1698   42 A'   1656  
9 A' 1789 1625   23 A'   1602  
10 A' 1609 1462   17 A'   1445  
11 A' 1588 1442   7 A'   1435  
12 A' 1543 1402   11 A'   1391  
13 A' 1503 1366   9 A'   1357  
14 A' 1429 1299   -1 A'   1300  
15 A' 1384 1257   3 A'   1254  
16 A' 1275 1158   -11 A'   1169  
17 A' 1143 1039   14 A'   1025  
18 A' 1019 925   -39 A'   964  
19 A' 939 853   13 A'   840  
20 A' 652 593   -34 A'   627  
21 A' 415 377   -25 A'   402  
22 A' 236 215   71 A'   144  
23 A" 3192 2900   -75 A"   2975  
24 A" 1600 1454   -17 A"   1471  
25 A" 1170 1063   54 A"   1009  
26 A" 1137 1033   36 A"   997  
27 A" 1104 1003   82 A"   921  
28 A" 1062 965   59 A"   906  
29 A" 880 800   27 A"   773  
30 A" 699 635   8 A"   627  
31 A" 398 362   -94 A"   456  
32 A" 141 128   -43 A"   171  
33 A" 120 109           
The calculated vibrational frequencies were scaled by 0.9086

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.