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

mPW1PW91/STO-3G

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 3522 3096           
2 A1 3346 2940   49 A1   2891  
3 A1 1712 1505   84 A1   1421  
4 A1 1563 1374   70 A1   1304  
5 A1 1113 978   32 A1   946  
6 A1 773 680   30 A1   650  
7 A1 338 297   -2 A1   299  
8 A2 3531 3103    A2      
9 A2 1702 1496   75 A2   1421  
10 A2 949 834    A2      
11 A2 171 150    A2      
12 E 3532 3104   138 E   2966  
13 E 3522 3096   144 E   2952  
14 E 3348 2942   51 E   2891  
15 E 1708 1501   80 E   1421  
16 E 1705 1499   78 E   1421  
17 E 1538 1352   60 E   1292  
18 E 1090 958   12 E   946  
19 E 984 865   -66 E   931  
20 E 832 731   27 E   704  
21 E 285 251    E      
22 E 192 169   -90 E   259  
The calculated vibrational frequencies were scaled by 0.8789

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.