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

ROHF/cc-pVDZ

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 2853           
2 Ag 1682 1448   -41 Ag   1488  
3 Ag 1367 1177   -82 Ag   1259  
4 Au 460 396   312 Au   84  
5 B1u 3303 2843           
6 B1u 1561 1344           
7 B2g 1200 1033   132 B3u   901  
8 B2u 3445 2965   1862 B2g   1103  
9 B2u 893 769           
10 B3g 3430 2953   2140 B2u   813  
11 B3g 1320 1136   -1843 B1u   2979  
12 B3u 1084 933   -479 B1u   1412  
The calculated vibrational frequencies were scaled by 0.8607

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.