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Compare vibrational frequencies in CCCBDB for CH3COOCH3 (methyl acetate)

HF/aug-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 A' 3292 2997   -38 A'   3035  
2 A' 3288 2994   -37 A'   3031  
3 A' 3198 2911   -55 A'   2966  
4 A' 3188 2902   -62 A'   2964  
5 A' 1970 1793   22 A'   1771  
6 A' 1623 1478   18 A'   1460  
7 A' 1611 1467   27 A'   1440  
8 A' 1586 1444   14 A'   1430  
9 A' 1535 1398   23 A'   1375  
10 A' 1411 1285   37 A'   1248  
11 A' 1327 1208   49 A'   1159  
12 A' 1191 1085   25 A'   1060  
13 A' 1071 975   -5 A'   980  
14 A' 941 857   13 A'   844  
15 A' 694 632   -7 A'   639  
16 A' 454 414   -15 A'   429  
17 A' 302 275   -28 A'   303  
18 A" 3269 2976   -29 A"   3005  
19 A" 3247 2956   -38 A"   2994  
20 A" 1612 1467   7 A"   1460  
21 A" 1597 1454   24 A"   1430  
22 A" 1288 1172   -15 A"   1187  
23 A" 1174 1069   33 A"   1036  
24 A" 671 611   4 A"   607  
25 A" 188 171   -16 A"   187  
26 A" 159 145   9 A"   136  
27 A" 86 78   -32 A"   110  
The calculated vibrational frequencies were scaled by 0.9104

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.