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Compare vibrational frequencies in CCCBDB for CH3COOCH3 (methyl acetate)

MP2/cc-pV(T+d)Z

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' 3225 3072   37 A'   3035  
2 A' 3222 3069   38 A'   3031  
3 A' 3102 2954   -12 A'   2966  
4 A' 3097 2950   -14 A'   2964  
5 A' 1809 1723   -48 A'   1771  
6 A' 1521 1449   -11 A'   1460  
7 A' 1490 1419   -21 A'   1440  
8 A' 1484 1413   -17 A'   1430  
9 A' 1405 1338   -37 A'   1375  
10 A' 1291 1230   -18 A'   1248  
11 A' 1219 1161   2 A'   1159  
12 A' 1096 1044   -16 A'   1060  
13 A' 999 952   -28 A'   980  
14 A' 869 828   -16 A'   844  
15 A' 651 620   -19 A'   639  
16 A' 426 406   -23 A'   429  
17 A' 292 278   -25 A'   303  
18 A" 3188 3037   32 A"   3005  
19 A" 3186 3035   41 A"   2994  
20 A" 1506 1435   -25 A"   1460  
21 A" 1496 1425   -5 A"   1430  
22 A" 1192 1136   -51 A"   1187  
23 A" 1073 1022   -14 A"   1036  
24 A" 611 582   -25 A"   607  
25 A" 183 174   -13 A"   187  
26 A" 155 148   12 A"   136  
27 A" 44 42   -68 A"   110  
The calculated vibrational frequencies were scaled by 0.9525

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.