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

HF/CEP-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 3300 2975           
2 A1 3200 2885   -6 A1   2891  
3 A1 1616 1457   36 A1   1421  
4 A1 1494 1347   43 A1   1304  
5 A1 1095 987   41 A1   946  
6 A1 654 590   -60 A1   650  
7 A1 293 264   -35 A1   299  
8 A2 3310 2983    A2      
9 A2 1595 1438   17 A2   1421  
10 A2 898 809    A2      
11 A2 169 152    A2      
12 E 3312 2985   19 E   2966  
13 E 3297 2972   20 E   2952  
14 E 3197 2882   -9 E   2891  
15 E 1609 1450   29 E   1421  
16 E 1602 1444   23 E   1421  
17 E 1468 1323   31 E   1292  
18 E 1073 968   22 E   946  
19 E 949 856   -75 E   931  
20 E 726 654   -50 E   704  
21 E 252 227    E      
22 E 194 175   -84 E   259  
The calculated vibrational frequencies were scaled by 0.9014

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.