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Compare vibrational frequencies in CCCBDB for P(CH3)3 (trimethylphosphine)

MP4/6-31G*

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 A1 3132 2991           
2 A1 3043 2906   15 A1   2891  
3 A1 1527 1458   37 A1   1421  
4 A1 1402 1339   35 A1   1304  
5 A1 1015 969   23 A1   946  
6 A1 667 637   -13 A1   650  
7 A1 290 277   -22 A1   299  
8 A2 3147 3005    A2      
9 A2 1504 1436   15 A2   1421  
10 A2 825 788    A2      
11 A2 174 166    A2      
12 E 3148 3006   40 E   2966  
13 E 3133 2991   39 E   2952  
14 E 3045 2908   17 E   2891  
15 E 1519 1451   30 E   1421  
16 E 1508 1440   19 E   1421  
17 E 1378 1316   24 E   1292  
18 E 997 951   5 E   946  
19 E 879 839   -92 E   931  
20 E 728 695   -9 E   704  
21 E 252 241    E      
22 E 203 194   -65 E   259  
The calculated vibrational frequencies were scaled by 0.9548

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.