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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 3130 2995           
2 A1 3042 2911   20 A1   2891  
3 A1 1485 1420   -1 A1   1421  
4 A1 1348 1290   -14 A1   1304  
5 A1 987 945   -1 A1   946  
6 A1 659 631   -19 A1   650  
7 A1 296 283   -16 A1   299  
8 A2 3144 3008    A2      
9 A2 1456 1393   -28 A2   1421  
10 A2 795 761    A2      
11 A2 176 169    A2      
12 E 3145 3009   43 E   2966  
13 E 3131 2995   43 E   2952  
14 E 3045 2913   22 E   2891  
15 E 1474 1410   -11 E   1421  
16 E 1463 1400   -21 E   1421  
17 E 1320 1263   -29 E   1292  
18 E 967 925   -21 E   946  
19 E 845 808   -123 E   931  
20 E 717 686   -18 E   704  
21 E 253 242    E      
22 E 208 199   -60 E   259  
The calculated vibrational frequencies were scaled by 0.9567

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.