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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

HF/6-311+G(3df,2p)

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' 3394 3084           
2 A' 3332 3027           
3 A' 3300 2998           
4 A' 1900 1726           
5 A' 1824 1657           
6 A' 1537 1397           
7 A' 1398 1270           
8 A' 1268 1152           
9 A' 979 889           
10 A' 664 603           
11 A' 385 349   -141 A'   490 +-50
12 A" 1133 1030           
13 A" 1093 993           
14 A" 753 684           
15 A" 188 171   21 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.9086

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.