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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

wB97X-D/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' 3287 3131           
2 A' 3189 3037           
3 A' 3168 3018           
4 A' 1727 1645           
5 A' 1681 1602           
6 A' 1399 1332           
7 A' 1274 1214           
8 A' 1155 1100           
9 A' 901 858           
10 A' 620 591           
11 A' 346 330   -160 A'   490 +-50
12 A" 1011 963           
13 A" 1010 962           
14 A" 687 655           
15 A" 175 167   17 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.9526

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.