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

B2PLYP=FULL/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 3206 3040           
2 Ag 1595 1513   24 Ag   1488  
3 Ag 1296 1229   -30 Ag   1259  
4 Au 344i 327i   -411 Au   84  
5 B1u 3201 3036           
6 B1u 1507 1429           
7 B2g 1137 1078   177 B3u   901  
8 B2u 3327 3155   2052 B2g   1103  
9 B2u 863 819           
10 B3g 3313 3142   2329 B2u   813  
11 B3g 1262 1197   -1782 B1u   2979  
12 B3u 1004 952   -460 B1u   1412  
The calculated vibrational frequencies were scaled by 0.9484

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.