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Compare vibrational frequencies in CCCBDB for CH3NH2 (methyl amine)

B1B95/6-31G

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' 3622 3455   94 A'   3361  
2 A' 3105 2961   0 A'   2961  
3 A' 2977 2839   19 A'   2820  
4 A' 1722 1643   20 A'   1623  
5 A' 1548 1476   3 A'   1473  
6 A' 1510 1440   10 A'   1430  
7 A' 1176 1122   -8 A'   1130  
8 A' 1129 1077   33 A'   1044  
9 A' 549 524   -256 A'   780  
10 A" 3744 3571   144 A"   3427  
11 A" 3155 3009   24 A"   2985  
12 A" 1570 1497   12 A"   1485  
13 A" 1348 1286   -49 A"   1335  
14 A" 984 938    A"     1195 assignment questionable
15 A" 276 263   -5 A"   268  
The calculated vibrational frequencies were scaled by 0.9537

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.