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Compare vibrational frequencies in CCCBDB for CH3OCH3 (Dimethyl ether)

AM1

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 A1 3147 3001   5 A1   2996  
2 A1 3079 2936   119 A1   2817  
3 A1 1493 1423   -41 A1   1464  
4 A1 1405 1339   -113 A1   1452  
5 A1 1356 1293   49 A1   1244  
6 A1 1164 1110   182 A1   928  
7 A1 483 460   42 A1   418  
8 A2 3058 2916   -36 A2   2952  
9 A2 1363 1300   -164 A2   1464  
10 A2 1170 1116   -34 A2   1150  
11 A2 143 136   -67 A2   203  
12 B1 3057 2915   -10 B1   2925  
13 B1 1369 1305   -159 B1   1464  
14 B1 1193 1138   -41 B1   1179  
15 B1 192 183   -59 B1   242  
16 B2 3150 3004   8 B2   2996  
17 B2 3077 2934   117 B2   2817  
18 B2 1472 1403   -61 B2   1464  
19 B2 1390 1326   -126 B2   1452  
20 B2 1377 1312   85 B2   1227  
21 B2 1154 1100   -2 B2   1102  
The calculated vibrational frequencies were scaled by 0.9535

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.