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

BLYP/6-31+G**

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' 3157 3140   80 A'   3060  
2 A' 3084 3067   7 A'   3060  
3 A' 3075 3059   44 A'   3015  
4 A' 3069 3053   55 A'   2998  
5 A' 3056 3040   42 A'   2998  
6 A' 3042 3025   87 A'   2938  
7 A' 2947 2931   12 A'   2919  
8 A' 1640 1631   -25 A'   1656  
9 A' 1597 1588   -14 A'   1602  
10 A' 1457 1449   4 A'   1445  
11 A' 1435 1427   -8 A'   1435  
12 A' 1381 1374   -17 A'   1391  
13 A' 1359 1352   -5 A'   1357  
14 A' 1287 1280   -20 A'   1300  
15 A' 1259 1252   -2 A'   1254  
16 A' 1157 1151   -18 A'   1169  
17 A' 1034 1029   4 A'   1025  
18 A' 940 935   -29 A'   964  
19 A' 865 861   21 A'   840  
20 A' 601 598   -29 A'   627  
21 A' 379 377   -25 A'   402  
22 A' 209 208   64 A'   144  
23 A" 2984 2968   -7 A"   2975  
24 A" 1448 1441   -30 A"   1471  
25 A" 1025 1020   11 A"   1009  
26 A" 1003 997   0 A"   997  
27 A" 951 946   25 A"   921  
28 A" 882 877   -29 A"   906  
29 A" 776 772   -1 A"   773  
30 A" 622 619   -8 A"   627  
31 A" 348 347   -109 A"   456  
32 A" 149 148   -23 A"   171  
33 A" 119 119           
The calculated vibrational frequencies were scaled by 0.9947

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.