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

TPSSh/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 3249 3128   31 A1   3097  
2 A1 3177 3058   43 A1   3015  
3 A1 3166 3047   17 A1   3030  
4 A1 3156 3037   22 A1   3015  
5 A1 1684 1621   -1 A1   1622  
6 A1 1619 1558   -12 A1   1570  
7 A1 1445 1391   -1 A1   1392  
8 A1 1347 1297   -17 A1   1314  
9 A1 1290 1241   59 A1   1182  
10 A1 1100 1059   -24 A1   1083  
11 A1 897 863   -273 A1   1136  
12 A1 387 372   -21 A1   393  
13 A1 159 153   -14 A1   167  
14 A2 1037 998   20 A2   978  
15 A2 972 936   16 A2   920  
16 A2 925 890   7 A2   883  
17 A2 725 697   -12 A2   709  
18 A2 327 315   -16 A2   331  
19 A2 155 149   -115 A2   264  
20 B1 1024 986   -4 B1   990  
21 B1 928 893   -17 B1   910  
22 B1 844 813   -5 B1   818  
23 B1 600 577   -12 B1   589  
24 B1 104 100   -258 B1   358  
25 B2 3249 3127   27 B2   3100  
26 B2 3165 3047   -33 B2   3080  
27 B2 3155 3037   -13 B2   3050  
28 B2 3145 3027   -23 B2   3050  
29 B2 1678 1615   3 B2   1612  
30 B2 1501 1445   -7 B2   1452  
31 B2 1394 1342   -13 B2   1355  
32 B2 1311 1262   -18 B2   1280  
33 B2 1219 1174   26 B2   1148  
34 B2 967 930   -20 B2   950  
35 B2 683 657   178 B2   479  
36 B2 341 328   85 B2   243  
The calculated vibrational frequencies were scaled by 0.9625

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.