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Compare vibrational frequencies in CCCBDB for N2O (Nitrous oxide)

QCISD/3-21G*

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 Σ 2021 1943 -261 -281 Σ 2282 2224 fundamentals from webbook (14N2O)
2 Σ 971 933 -327 -352 Σ 1298 1285  
3 Π 457 439 -139 -150 Π 596 589  
The calculated vibrational frequencies were scaled by 0.9611

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.