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

B3LYP/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 3139 3029           
2 Ag 1545 1491   3 Ag   1488  
3 Ag 1272 1227   -31 Ag   1259  
4 Au 475i 458i   -542 Au   84  
5 B1u 3134 3025           
6 B1u 1465 1414           
7 B2g 1118 1079   177 B3u   901  
8 B2u 3262 3147   2044 B2g   1103  
9 B2u 836 807           
10 B3g 3245 3131   2318 B2u   813  
11 B3g 1228 1185   -1793 B1u   2979  
12 B3u 979 945   -467 B1u   1412  
The calculated vibrational frequencies were scaled by 0.965

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.