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Compare vibrational frequencies in CCCBDB for C6H8 ((Z)-hexa-1,3,5-triene)

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 A1 3312 3118   21 A1   3097  
2 A1 3252 3061   46 A1   3015  
3 A1 3229 3040   10 A1   3030  
4 A1 3217 3029   14 A1   3015  
5 A1 1765 1662   40 A1   1622  
6 A1 1670 1572   2 A1   1570  
7 A1 1478 1392   -0 A1   1392  
8 A1 1379 1298   -16 A1   1314  
9 A1 1317 1240   58 A1   1182  
10 A1 1125 1059   -24 A1   1083  
11 A1 909 856   -280 A1   1136  
12 A1 396 373   -20 A1   393  
13 A1 171 161   -6 A1   167  
14 A2 1028 968   -10 A2   978  
15 A2 959 903   -17 A2   920  
16 A2 922 868   -15 A2   883  
17 A2 707 666   -43 A2   709  
18 A2 324 305   -26 A2   331  
19 A2 125 117   -147 A2   264  
20 B1 1025 965   -25 B1   990  
21 B1 924 870   -40 B1   910  
22 B1 833 784   -34 B1   818  
23 B1 596 561   -28 B1   589  
24 B1 91 85   -273 B1   358  
25 B2 3312 3118   18 B2   3100  
26 B2 3236 3047   -33 B2   3080  
27 B2 3216 3028   -22 B2   3050  
28 B2 3207 3019   -31 B2   3050  
29 B2 1730 1629   17 B2   1612  
30 B2 1532 1442   -10 B2   1452  
31 B2 1424 1340   -15 B2   1355  
32 B2 1338 1260   -20 B2   1280  
33 B2 1237 1164   16 B2   1148  
34 B2 982 925   -25 B2   950  
35 B2 691 651   172 B2   479  
36 B2 353 332   89 B2   243  
The calculated vibrational frequencies were scaled by 0.9414

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.