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Compare vibrational frequencies in CCCBDB for CH3NH2 (methyl amine)

wB97X-D/CEP-121G

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' 3560 3560   199 A'   3361  
2 A' 3064 3064   103 A'   2961  
3 A' 2950 2950   130 A'   2820  
4 A' 1711 1711   88 A'   1623  
5 A' 1527 1527   54 A'   1473  
6 A' 1488 1488   58 A'   1430  
7 A' 1158 1158   28 A'   1130  
8 A' 1118 1118   74 A'   1044  
9 A' 570 570   -210 A'   780  
10 A" 3692 3692   265 A"   3427  
11 A" 3116 3116   131 A"   2985  
12 A" 1548 1548   63 A"   1485  
13 A" 1331 1331   -4 A"   1335  
14 A" 970 970    A"     1195 assignment questionable
15 A" 270 270   2 A"   268  
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.