return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Comparisons > Vibrations > Vibrations

Compare vibrational frequencies in CCCBDB for N2O3 (Dinitrogen trioxide)

LSDA/cc-pVDZ

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' 1926 1905   73 A'   1832  
2 A' 1815 1795   143 A'   1652  
3 A' 1405 1390   85 A'   1305  
4 A' 811 802   29 A'   773  
5 A' 672 664   37 A'   627  
6 A' 319 315   74 A'   241  
7 A' 220 217   12 A'   205  
8 A" 457 452   38 A"   414  
9 A" 159 158   95 A"   63  
The calculated vibrational frequencies were scaled by 0.989

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.