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

QCISD/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 3139 2989           
2 A1 3055 2909   18 A1   2891  
3 A1 1532 1459   38 A1   1421  
4 A1 1410 1343   39 A1   1304  
5 A1 1020 972   26 A1   946  
6 A1 671 639   -11 A1   650  
7 A1 295 281   -18 A1   299  
8 A2 3151 3000    A2      
9 A2 1510 1438   17 A2   1421  
10 A2 830 791    A2      
11 A2 175 167    A2      
12 E 3152 3001   35 E   2966  
13 E 3138 2988   36 E   2952  
14 E 3055 2910   19 E   2891  
15 E 1525 1452   31 E   1421  
16 E 1514 1441   20 E   1421  
17 E 1387 1321   29 E   1292  
18 E 1001 954   8 E   946  
19 E 883 841   -90 E   931  
20 E 733 698   -6 E   704  
21 E 254 242    E      
22 E 205 195   -64 E   259  
The calculated vibrational frequencies were scaled by 0.9523

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.