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

M06-2X/6-31G(2df,p)

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' 3155 3004   9 A'   2995  
2 A' 3147 2997   29 A'   2968  
3 A' 3066 2920   -34 A'   2954  
4 A' 3011 2868   33 A'   2835  
5 A' 2999 2857   -12 A'   2869  
6 A' 1538 1465   -27 A'   1492  
7 A' 1514 1442   -39 A'   1481  
8 A' 1502 1430   -43 A'   1473 from solid
9 A' 1486 1415   -33 A'   1448  
10 A' 1432 1364   -32 A'   1396  
11 A' 1392 1326   -42 A'   1368  
12 A' 1266 1206   -8 A'   1214  
13 A' 1217 1159   24 A'   1135  
14 A' 1123 1070   -30 A'   1100  
15 A' 1070 1019   -1 A'   1020  
16 A' 888 846   -12 A'   858  
17 A' 477 454   -21 A'   475  
18 A' 293 279   -9 A'   288  
19 A" 3155 3005   24 A"   2981  
20 A" 3062 2916   -19 A"   2935  
21 A" 3034 2889   -4 A"   2893  
22 A" 1493 1422   -42 A"   1464  
23 A" 1482 1411   -45 A"   1456  
24 A" 1302 1240   -37 A"   1277  
25 A" 1209 1151   -24 A"   1175  
26 A" 1175 1119   -29 A"   1148 from solid
27 A" 816 777   -41 A"   818 from solid
28 A" 259 247   -31 A"   278 from solid
29 A" 206 196   -52 A"   248  
30 A" 124 119   4 A"   115  
The calculated vibrational frequencies were scaled by 0.9524

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.