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

mPW1PW91/6-311G*

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 3129 2987           
2 A1 3045 2906   15 A1   2891  
3 A1 1508 1439   18 A1   1421  
4 A1 1372 1309   5 A1   1304  
5 A1 1000 955   9 A1   946  
6 A1 661 631   -19 A1   650  
7 A1 298 285   -14 A1   299  
8 A2 3143 3000    A2      
9 A2 1475 1408   -13 A2   1421  
10 A2 804 767    A2      
11 A2 181 173    A2      
12 E 3144 3000   34 E   2966  
13 E 3129 2987   35 E   2952  
14 E 3046 2907   16 E   2891  
15 E 1494 1426   5 E   1421  
16 E 1484 1417   -4 E   1421  
17 E 1342 1281   -11 E   1292  
18 E 978 933   -13 E   946  
19 E 856 817   -114 E   931  
20 E 718 685   -19 E   704  
21 E 254 242    E      
22 E 212 202   -57 E   259  
The calculated vibrational frequencies were scaled by 0.9544

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.