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

G3B3

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' 3245 3245   185 A'   3060  
2 A' 3174 3174   114 A'   3060  
3 A' 3165 3165   150 A'   3015  
4 A' 3160 3160   162 A'   2998  
5 A' 3145 3145   147 A'   2998  
6 A' 3132 3132   194 A'   2938  
7 A' 3034 3034   115 A'   2919  
8 A' 1734 1734   78 A'   1656  
9 A' 1681 1681   79 A'   1602  
10 A' 1520 1520   75 A'   1445  
11 A' 1492 1492   57 A'   1435  
12 A' 1445 1445   54 A'   1391  
13 A' 1414 1414   57 A'   1357  
14 A' 1336 1336   36 A'   1300  
15 A' 1304 1304   50 A'   1254  
16 A' 1201 1201   32 A'   1169  
17 A' 1074 1074   49 A'   1025  
18 A' 974 974   10 A'   964  
19 A' 900 900   60 A'   840  
20 A' 618 618   -9 A'   627  
21 A' 389 389   -13 A'   402  
22 A' 219 219   75 A'   144  
23 A" 3075 3075   100 A"   2975  
24 A" 1511 1511   40 A"   1471  
25 A" 1072 1072   63 A"   1009  
26 A" 1047 1047   50 A"   997  
27 A" 995 995   74 A"   921  
28 A" 924 924   18 A"   906  
29 A" 808 808   35 A"   773  
30 A" 646 646   19 A"   627  
31 A" 360 360   -96 A"   456  
32 A" 151 151   -20 A"   171  
33 A" 124 124           
The calculated vibrational frequencies were scaled by 1

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.