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

ROHF/aug-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 3294 3294           
2 Ag 1692 1692   203 Ag   1488  
3 Ag 1363 1363   104 Ag   1259  
4 Au 470 470   386 Au   84  
5 B1u 3284 3284           
6 B1u 1591 1591           
7 B2g 1221 1221   319 B3u   901  
8 B2u 3413 3413   2310 B2g   1103  
9 B2u 898 898           
10 B3g 3397 3397   2584 B2u   813  
11 B3g 1337 1337   -1642 B1u   2979  
12 B3u 1099 1099   -313 B1u   1412  
The calculated vibrational frequencies were scaled by 1

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.