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Compare vibrational frequencies in CCCBDB for C2H4+ (Ethylene cation)

B3LYP/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 Ag 3151 3027           
2 Ag 1565 1503   15 Ag   1488  
3 Ag 1274 1224   -35 Ag   1259  
4 Au 466i 447i   -531 Au   84  
5 B1u 3147 3024           
6 B1u 1477 1419           
7 B2g 1117 1073   172 B3u   901  
8 B2u 3274 3145   2042 B2g   1103  
9 B2u 847 813           
10 B3g 3259 3131   2318 B2u   813  
11 B3g 1237 1189   -1790 B1u   2979  
12 B3u 980 941   -470 B1u   1412  
The calculated vibrational frequencies were scaled by 0.9608

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.