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Compare vibrational frequencies in CCCBDB for CH3OC2H5 (Ethane, methoxy-)

wB97X-D/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' 3142 3005   10 A'   2995  
2 A' 3141 3004   36 A'   2968  
3 A' 3061 2928   -26 A'   2954  
4 A' 2981 2851   16 A'   2835  
5 A' 2969 2840   -29 A'   2869  
6 A' 1542 1475   -17 A'   1492  
7 A' 1511 1445   -36 A'   1481  
8 A' 1507 1442   -31 A'   1473 from solid
9 A' 1488 1423   -25 A'   1448  
10 A' 1439 1377   -19 A'   1396  
11 A' 1399 1338   -30 A'   1368  
12 A' 1254 1199   -15 A'   1214  
13 A' 1195 1143   8 A'   1135  
14 A' 1126 1077   -23 A'   1100  
15 A' 1054 1008   -12 A'   1020  
16 A' 884 846   -12 A'   858  
17 A' 476 455   -20 A'   475  
18 A' 294 281   -7 A'   288  
19 A" 3145 3008   27 A"   2981  
20 A" 3027 2895   -40 A"   2935  
21 A" 3000 2870   -23 A"   2893  
22 A" 1486 1421   -43 A"   1464  
23 A" 1481 1417   -39 A"   1456  
24 A" 1309 1252   -25 A"   1277  
25 A" 1207 1155   -20 A"   1175  
26 A" 1174 1123   -25 A"   1148 from solid
27 A" 834 798   -20 A"   818 from solid
28 A" 259 247   -31 A"   278 from solid
29 A" 198 190   -58 A"   248  
30 A" 111 106   -9 A"   115  
The calculated vibrational frequencies were scaled by 0.9565

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.