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Compare vibrational frequencies in CCCBDB for CH3COOCH3 (methyl acetate)

QCISD/6-311G**

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' 3190 3043   8 A'   3035  
2 A' 3188 3041   10 A'   3031  
3 A' 3079 2937   -29 A'   2966  
4 A' 3077 2936   -28 A'   2964  
5 A' 1851 1766   -5 A'   1771  
6 A' 1528 1458   -2 A'   1460  
7 A' 1505 1436   -4 A'   1440  
8 A' 1496 1428   -2 A'   1430  
9 A' 1428 1362   -13 A'   1375  
10 A' 1310 1250   2 A'   1248  
11 A' 1235 1179   20 A'   1159  
12 A' 1112 1061   1 A'   1060  
13 A' 1007 961   -19 A'   980  
14 A' 882 841   -3 A'   844  
15 A' 656 626   -13 A'   639  
16 A' 430 410   -19 A'   429  
17 A' 296 283   -20 A'   303  
18 A" 3155 3010   5 A"   3005  
19 A" 3152 3008   14 A"   2994  
20 A" 1510 1440   -20 A"   1460  
21 A" 1501 1432   2 A"   1430  
22 A" 1204 1149   -38 A"   1187  
23 A" 1081 1032   -4 A"   1036  
24 A" 608 580   -27 A"   607  
25 A" 183 174   -13 A"   187  
26 A" 160 152   16 A"   136  
27 A" 54 52   -58 A"   110  
The calculated vibrational frequencies were scaled by 0.9541

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.