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Compare vibrational frequencies in CCCBDB for C2H4 (Ethylene)

CCSD(T)=FULL/STO-3G

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 3376 3376   349 Ag   3026  
2 Ag 1775 1775   152 Ag   1623  
3 Ag 1440 1440   98 Ag   1342  
4 Au 1108 1108   85 Au   1023  
5 B1u 3350 3350   361 B1u   2989 sym was B3U
6 B1u 1596 1596   153 B1u   1444 sym was B3U
7 B2g 943 943   3 B2g   940  
8 B2u 3509 3509   404 B2u   3105  
9 B2u 862 862   36 B2u   826  
10 B3g 3496 3496   410 B3g   3086 sym was B1G
11 B3g 1326 1326   109 B3g   1217 sym was B1G
12 B3u 986 986   36 B3u   949 sym was B1U
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.