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

MP2/6-31G*

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 3188 3007           
2 A1 3092 2916   25 A1   2891  
3 A1 1545 1457   36 A1   1421  
4 A1 1416 1336   32 A1   1304  
5 A1 1026 968   22 A1   946  
6 A1 681 642   -8 A1   650  
7 A1 294 277   -22 A1   299  
8 A2 3204 3022    A2      
9 A2 1521 1434   13 A2   1421  
10 A2 835 787    A2      
11 A2 177 167    A2      
12 E 3204 3022   56 E   2966  
13 E 3189 3008   56 E   2952  
14 E 3095 2918   27 E   2891  
15 E 1537 1449   28 E   1421  
16 E 1525 1438   17 E   1421  
17 E 1391 1312   20 E   1292  
18 E 1009 952   6 E   946  
19 E 890 839   -92 E   931  
20 E 742 700   -4 E   704  
21 E 255 241    E      
22 E 209 197   -62 E   259  
The calculated vibrational frequencies were scaled by 0.943

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.