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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

HF/6-31G*

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' 3450 3100           
2 A' 3389 3045           
3 A' 3356 3016           
4 A' 1926 1730           
5 A' 1858 1670           
6 A' 1557 1399           
7 A' 1412 1269           
8 A' 1284 1154           
9 A' 992 892           
10 A' 666 599           
11 A' 382 344   -146 A'   490 +-50
12 A" 1137 1022           
13 A" 1107 994           
14 A" 751 675           
15 A" 185 166   16 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.8985

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.