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Compare vibrational frequencies in CCCBDB for NH2CN (cyanamide)

MP3/6-31G*

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' 3603 3381   -39 A'   3420 NH2 s-str
2 A' 2447 2296   26 A'   2270 C#N str
3 A' 1703 1598   3 A'   1595 NH2 scissors
4 A' 1105 1037   -18 A'   1055 C-N str
5 A' 685 643   235 A'   408 NH2 wag 0- 49, 1+ 413.6, 1- 714.1
6 A' 469 440   -47 A'   487 NCN bend
7 A" 3699 3472   -8 A"   3480 NH2 a-str
8 A" 1247 1171    A"     NH2 rock
9 A" 399 375   -60 A"   435 NCN bend
The calculated vibrational frequencies were scaled by 0.9386

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.