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

HF/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 A1 3401 3075   -22 A1   3097  
2 A1 3360 3038   23 A1   3015  
3 A1 3338 3019   -11 A1   3030  
4 A1 3311 2994   -21 A1   3015  
5 A1 1879 1699   77 A1   1622  
6 A1 1771 1601   31 A1   1570  
7 A1 1556 1407   15 A1   1392  
8 A1 1459 1319   5 A1   1314  
9 A1 1389 1256   74 A1   1182  
10 A1 1184 1070   -13 A1   1083  
11 A1 947 856   -280 A1   1136  
12 A1 419 379   -14 A1   393  
13 A1 180 162   -5 A1   167  
14 A2 1140 1031   53 A2   978  
15 A2 1097 992   72 A2   920  
16 A2 1064 962   79 A2   883  
17 A2 787 711   2 A2   709  
18 A2 368 333   2 A2   331  
19 A2 84 76   -188 A2   264  
20 B1 1124 1016   26 B1   990  
21 B1 1070 968   58 B1   910  
22 B1 922 833   15 B1   818  
23 B1 652 589   0 B1   589  
24 B1 91 82   -276 B1   358  
25 B2 3400 3074   -26 B2   3100  
26 B2 3340 3020   -60 B2   3080  
27 B2 3317 2999   -51 B2   3050  
28 B2 3309 2992   -58 B2   3050  
29 B2 1837 1661   49 B2   1612  
30 B2 1611 1457   5 B2   1452  
31 B2 1502 1358   3 B2   1355  
32 B2 1418 1283   3 B2   1280  
33 B2 1298 1174   26 B2   1148  
34 B2 1029 930   -20 B2   950  
35 B2 730 660   181 B2   479  
36 B2 377 341   98 B2   243  
The calculated vibrational frequencies were scaled by 0.9042

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.