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

B3PW91/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 3495 3093           
2 A1 3320 2938   47 A1   2891  
3 A1 1701 1506   85 A1   1421  
4 A1 1552 1373   69 A1   1304  
5 A1 1104 977   31 A1   946  
6 A1 763 675   25 A1   650  
7 A1 336 298   -1 A1   299  
8 A2 3503 3101    A2      
9 A2 1691 1497   76 A2   1421  
10 A2 943 834    A2      
11 A2 168 149    A2      
12 E 3505 3102   136 E   2966  
13 E 3495 3093   141 E   2952  
14 E 3322 2940   49 E   2891  
15 E 1698 1502   81 E   1421  
16 E 1695 1500   79 E   1421  
17 E 1527 1351   59 E   1292  
18 E 1082 957   11 E   946  
19 E 977 864   -67 E   931  
20 E 821 726   22 E   704  
21 E 283 250    E      
22 E 190 168   -91 E   259  
The calculated vibrational frequencies were scaled by 0.885

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.