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

PBEPBE/6-31+G**

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 3056 3021           
2 A1 2964 2930   39 A1   2891  
3 A1 1439 1423   2 A1   1421  
4 A1 1300 1285   -19 A1   1304  
5 A1 946 935   -11 A1   946  
6 A1 628 621   -29 A1   650  
7 A1 289 286   -13 A1   299  
8 A2 3074 3039    A2      
9 A2 1411 1395   -26 A2   1421  
10 A2 768 759    A2      
11 A2 172 170    A2      
12 E 3074 3039   73 E   2966  
13 E 3057 3022   70 E   2952  
14 E 2967 2933   42 E   2891  
15 E 1429 1413   -8 E   1421  
16 E 1419 1402   -19 E   1421  
17 E 1271 1256   -36 E   1292  
18 E 933 923   -23 E   946  
19 E 814 804   -127 E   931  
20 E 685 678   -26 E   704  
21 E 245 242    E      
22 E 201 199   -60 E   259  
The calculated vibrational frequencies were scaled by 0.9886

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.