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Compare vibrational frequencies in CCCBDB for CH3COOCH3 (methyl acetate)

B3LYP/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' 3176 3063   28 A'   3035  
2 A' 3174 3061   30 A'   3031  
3 A' 3064 2954   -12 A'   2966  
4 A' 3063 2953   -11 A'   2964  
5 A' 1803 1739   -32 A'   1771  
6 A' 1502 1448   -12 A'   1460  
7 A' 1477 1424   -16 A'   1440  
8 A' 1474 1421   -9 A'   1430  
9 A' 1404 1354   -21 A'   1375  
10 A' 1275 1229   -19 A'   1248  
11 A' 1209 1165   6 A'   1159  
12 A' 1076 1037   -23 A'   1060  
13 A' 987 951   -29 A'   980  
14 A' 857 826   -18 A'   844  
15 A' 641 618   -21 A'   639  
16 A' 422 407   -22 A'   429  
17 A' 279 269   -34 A'   303  
18 A" 3141 3029   24 A"   3005  
19 A" 3129 3017   23 A"   2994  
20 A" 1489 1435   -25 A"   1460  
21 A" 1482 1429   -1 A"   1430  
22 A" 1174 1132   -55 A"   1187  
23 A" 1066 1028   -8 A"   1036  
24 A" 606 585   -22 A"   607  
25 A" 180 174   -13 A"   187  
26 A" 129 124   -12 A"   136  
27 A" 28 27   -83 A"   110  
The calculated vibrational frequencies were scaled by 0.9642

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.