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Compare vibrational frequencies in CCCBDB for CH2CF2 (Ethene, 1,1-difluoro-)

DREIDING

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 A1 2954 2765   -305 A1   3070  
2 A1 2129 1992   264 A1   1728  
3 A1 1673 1565   205 A1   1360  
4 A1 775 725   -201 A1   926  
5 A1 449 420   -130 A1   550  
6 A2 850 795   81 A2   714  
7 B1 1523 1425   622 B1   803 B1 & B2 switched in 1974sve/kov
8 B1 666 623   12 B1   611  
9 B2 3050 2855   -299 B2   3154  
10 B2 1463 1369   67 B2   1302  
11 B2 1143 1069   114 B2   955  
12 B2 449 421   -17 B2   438  
The calculated vibrational frequencies were scaled by 0.936

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.