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

HF/cc-pVQZ

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 3291 2989           
2 Ag 1692 1537   48 Ag   1488  
3 Ag 1364 1239   -20 Ag   1259  
4 Au 388 352   268 Au   84  
5 B1u 3281 2981           
6 B1u 1589 1444           
7 B2g 1204 1094   192 B3u   901  
8 B2u 3410 3098   1995 B2g   1103  
9 B2u 898 816           
10 B3g 3394 3084   2271 B2u   813  
11 B3g 1336 1214   -1765 B1u   2979  
12 B3u 1084 985   -427 B1u   1412  
The calculated vibrational frequencies were scaled by 0.9084

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.