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Calculated Frequencies for NH2CONHC2H5 (Urea, ethyl-) 1A C1

ROHF/6-311G* 1A C1

19 05 15 13 41
InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6) INChIKey=RYECOJGRJDOGPP-UHFFFAOYSA-N
Mode
Number
Symmetry Frequency
(cm-1)
Scaled Frequency
(cm-1)
IR Intensity
(km/mol)
reduced mass
(u)
description Raman Act
4/u)
Dep P Dep U
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe)   cm-1
Scaled (by 0.8556) Zero Point Vibrational Energy (zpe)   cm-1

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.

List of Irreducible Representations for

Rep deg. n vib IR R