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

CCD/6-31G(2df,p)

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 3194 3025           
2 Ag 1581 1497   9 Ag   1488  
3 Ag 1300 1232   -27 Ag   1259  
4 Au 175 166   82 Au   84  
5 B1u 3185 3017           
6 B1u 1486 1408           
7 B2g 1152 1091   190 B3u   901  
8 B2u 3318 3143   2040 B2g   1103  
9 B2u 848 803           
10 B3g 3303 3129   2316 B2u   813  
11 B3g 1254 1188   -1791 B1u   2979  
12 B3u 1017 963   -448 B1u   1412  
The calculated vibrational frequencies were scaled by 0.9472

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.