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Compare vibrational frequencies in CCCBDB for CH2NOH (formaldoxime)

G2

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' 4128 4128   477 A'   3650  
2 A' 3438 3438   328 A'   3110  
3 A' 3325 3325   352 A'   2973  
4 A' 1939 1939   300 A'   1639  
5 A' 1604 1604   194 A'   1410  
6 A' 1511 1511   192 A'   1319  
7 A' 1315 1315   149 A'   1166  
8 A' 1074 1074   182 A'   893  
9 A' 580 580   50 A'   530  
10 A" 1135 1135   182 A"   953  
11 A" 879 879   105 A"   774  
12 A" 408 408   8 A"   400  
The calculated vibrational frequencies were scaled by 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.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.