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Compare vibrational frequencies in CCCBDB for NHF2 (difluoramine)

MP2/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 A' 3252 3174   -19 A'   3193  
2 A' 1268 1237   -70 A'   1307  
3 A' 866 845   -127 A'   972  
4 A' 416 406   -94 A'   500  
5 A" 1351 1318   -106 A"   1424  
6 A" 841 821   -67 A"   888  
The calculated vibrational frequencies were scaled by 0.976

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.