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Compare vibrational frequencies in CCCBDB for CH3COOCH3 (methyl acetate)

mPW1PW91/6-31+G**

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 A' 3216 3061   26 A'   3035  
2 A' 3209 3054   23 A'   3031  
3 A' 3092 2943   -23 A'   2966  
4 A' 3089 2940   -24 A'   2964  
5 A' 1843 1754   -17 A'   1771  
6 A' 1507 1434   -26 A'   1460  
7 A' 1484 1412   -28 A'   1440  
8 A' 1477 1405   -25 A'   1430  
9 A' 1409 1341   -34 A'   1375  
10 A' 1305 1243   -5 A'   1248  
11 A' 1216 1157   -2 A'   1159  
12 A' 1103 1050   -10 A'   1060  
13 A' 1000 952   -28 A'   980  
14 A' 880 837   -7 A'   844  
15 A' 652 620   -19 A'   639  
16 A' 425 405   -24 A'   429  
17 A' 283 270   -33 A'   303  
18 A" 3175 3022   17 A"   3005  
19 A" 3170 3017   23 A"   2994  
20 A" 1493 1421   -39 A"   1460  
21 A" 1484 1412   -18 A"   1430  
22 A" 1182 1125   -62 A"   1187  
23 A" 1069 1017   -19 A"   1036  
24 A" 613 583   -24 A"   607  
25 A" 184 175   -12 A"   187  
26 A" 130 124   -12 A"   136  
27 A" 34 33   -77 A"   110  
The calculated vibrational frequencies were scaled by 0.9518

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.