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Compare vibrational frequencies in CCCBDB for NH2CN (cyanamide)

CCD/cc-pVTZ

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' 3599 3361   -59 A'   3420 NH2 s-str
2 A' 2393 2235   -35 A'   2270 C#N str
3 A' 1665 1555   -40 A'   1595 NH2 scissors
4 A' 1086 1014   -41 A'   1055 C-N str
5 A' 679 634   226 A'   408 NH2 wag 0- 49, 1+ 413.6, 1- 714.1
6 A' 490 458   -29 A'   487 NCN bend
7 A" 3694 3449   -31 A"   3480 NH2 a-str
8 A" 1236 1154    A"     NH2 rock
9 A" 411 384   -51 A"   435 NCN bend
The calculated vibrational frequencies were scaled by 0.9337

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.