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

TPSSh/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 3119 2990           
2 A1 3033 2908   17 A1   2891  
3 A1 1513 1451   30 A1   1421  
4 A1 1366 1310   6 A1   1304  
5 A1 992 951   5 A1   946  
6 A1 644 617   -33 A1   650  
7 A1 287 275   -24 A1   299  
8 A2 3131 3002    A2      
9 A2 1485 1424   3 A2   1421  
10 A2 796 763    A2      
11 A2 181 174    A2      
12 E 3132 3003   37 E   2966  
13 E 3119 2990   38 E   2952  
14 E 3035 2910   19 E   2891  
15 E 1502 1440   19 E   1421  
16 E 1491 1429   8 E   1421  
17 E 1337 1282   -10 E   1292  
18 E 973 933   -13 E   946  
19 E 846 811   -120 E   931  
20 E 701 672   -32 E   704  
21 E 245 235    E      
22 E 204 196   -63 E   259  
The calculated vibrational frequencies were scaled by 0.9587

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.