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

QCISD/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' 3258 3102   42 A'   3060  
2 A' 3198 3045   -15 A'   3060  
3 A' 3180 3028   13 A'   3015  
4 A' 3172 3021   23 A'   2998  
5 A' 3163 3012   14 A'   2998  
6 A' 3152 3002   64 A'   2938  
7 A' 3061 2915   -4 A'   2919  
8 A' 1769 1685   29 A'   1656  
9 A' 1695 1614   12 A'   1602  
10 A' 1544 1470   25 A'   1445  
11 A' 1509 1437   2 A'   1435  
12 A' 1469 1399   8 A'   1391  
13 A' 1427 1359   2 A'   1357  
14 A' 1353 1289   -11 A'   1300  
15 A' 1321 1258   4 A'   1254  
16 A' 1216 1158   -11 A'   1169  
17 A' 1090 1038   13 A'   1025  
18 A' 987 940   -24 A'   964  
19 A' 911 867   27 A'   840  
20 A' 621 591   -36 A'   627  
21 A' 393 374   -28 A'   402  
22 A' 228 217   73 A'   144  
23 A" 3116 2967   -8 A"   2975  
24 A" 1533 1460   -11 A"   1471  
25 A" 1090 1038   29 A"   1009  
26 A" 1022 974   -23 A"   997  
27 A" 977 930   9 A"   921  
28 A" 919 875   -31 A"   906  
29 A" 798 760   -13 A"   773  
30 A" 635 604   -23 A"   627  
31 A" 352 336   -120 A"   456  
32 A" 116 111   -60 A"   171  
33 A" 103 98           
The calculated vibrational frequencies were scaled by 0.9523

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.