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

HSEh1PBE/cc-pVTZ

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 3121 2999           
2 A1 3034 2916   25 A1   2891  
3 A1 1475 1418   -3 A1   1421  
4 A1 1327 1276   -28 A1   1304  
5 A1 971 933   -13 A1   946  
6 A1 660 634   -16 A1   650  
7 A1 296 284   -15 A1   299  
8 A2 3137 3015    A2      
9 A2 1449 1392   -29 A2   1421  
10 A2 784 754    A2      
11 A2 184 177    A2      
12 E 3136 3014   48 E   2966  
13 E 3122 3001   49 E   2952  
14 E 3037 2919   28 E   2891  
15 E 1466 1409   -12 E   1421  
16 E 1454 1397   -24 E   1421  
17 E 1303 1252   -40 E   1292  
18 E 957 919   -27 E   946  
19 E 834 802   -129 E   931  
20 E 718 690   -14 E   704  
21 E 251 242    E      
22 E 208 200   -59 E   259  
The calculated vibrational frequencies were scaled by 0.9611

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.