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

TPSSh/aug-cc-pVTZ

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 3089 2982           
2 A1 3011 2906   15 A1   2891  
3 A1 1492 1440   19 A1   1421  
4 A1 1338 1291   -13 A1   1304  
5 A1 970 936   -10 A1   946  
6 A1 643 620   -30 A1   650  
7 A1 283 274   -25 A1   299  
8 A2 3103 2995    A2      
9 A2 1467 1416   -5 A2   1421  
10 A2 783 756    A2      
11 A2 183 177    A2      
12 E 3103 2995   29 E   2966  
13 E 3090 2982   30 E   2952  
14 E 3013 2908   17 E   2891  
15 E 1482 1431   10 E   1421  
16 E 1472 1421   -0 E   1421  
17 E 1312 1267   -25 E   1292  
18 E 958 925   -21 E   946  
19 E 832 803   -128 E   931  
20 E 699 675   -29 E   704  
21 E 243 235    E      
22 E 203 196   -63 E   259  
The calculated vibrational frequencies were scaled by 0.9652

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.