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

HF/3-21G*

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 3315 2992           
2 Ag 1685 1521   32 Ag   1488  
3 Ag 1355 1223   -35 Ag   1259  
4 Au 275 248   164 Au   84  
5 B1u 3308 2986           
6 B1u 1614 1457           
7 B2g 1220 1101   200 B3u   901  
8 B2u 3434 3100   1997 B2g   1103  
9 B2u 958 864           
10 B3g 3416 3083   2270 B2u   813  
11 B3g 1370 1237   -1742 B1u   2979  
12 B3u 1091 984   -427 B1u   1412  
The calculated vibrational frequencies were scaled by 0.9026

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.