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Compare vibrational frequencies in CCCBDB for C2H4 (Ethylene)

MP2=FULL/CEP-121G

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 3107 2929   -97 Ag   3026  
2 Ag 1627 1534   -89 Ag   1623  
3 Ag 1363 1285   -57 Ag   1342  
4 Au 1034 975   -48 Au   1023  
5 B1u 3081 2904   -84 B1u   2989 sym was B3U
6 B1u 1498 1412   -32 B1u   1444 sym was B3U
7 B2g 782 737   -202 B2g   940  
8 B2u 3215 3030   -75 B2u   3105  
9 B2u 832 784   -42 B2u   826  
10 B3g 3184 3001   -85 B3g   3086 sym was B1G
11 B3g 1245 1174   -43 B3g   1217 sym was B1G
12 B3u 953 898   -51 B3u   949 sym was B1U
The calculated vibrational frequencies were scaled by 0.9427

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.