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Compare vibrational frequencies in CCCBDB for CH2C(CH3)CH3 (1-Propene, 2-methyl-)

B1B95/6-311G*

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 A1 3145 3015   26 A1   2989  
2 A1 3135 3006   65 A1   2941  
3 A1 3038 2912   1 A1   2911  
4 A1 1745 1673   12 A1   1661  
5 A1 1513 1450   -20 A1   1470  
6 A1 1450 1390   -26 A1   1416  
7 A1 1416 1357   -9 A1   1366  
8 A1 1082 1037   -27 A1   1064  
9 A1 830 796   -5 A1   801  
10 A1 370 355   -28 A1   383  
11 A2 3085 2958   -12 A2   2970  
12 A2 1481 1419   -40 A2   1459  
13 A2 1022 980   -96 A2   1076  
14 A2 701 672    A2     assignment questionable (listed as 981)
15 A2 158 152   -41 A2   193  
16 B1 3088 2960   15 B1   2945  
17 B1 1502 1439   -5 B1   1444  
18 B1 1105 1059   -20 B1   1079  
19 B1 906 869   -21 B1   890  
20 B1 434 417   -12 B1   429  
21 B1 204 196   -0 B1   196  
22 B2 3228 3094   8 B2   3086  
23 B2 3134 3004   24 B2   2980  
24 B2 3033 2907   14 B2   2893  
25 B2 1496 1434   -24 B2   1458  
26 B2 1419 1361   -20 B2   1381  
27 B2 1308 1254   -28 B2   1282  
28 B2 991 950   -93 B2   1043  
29 B2 962 922   -52 B2   974  
30 B2 433 415   -15 B2   430  
The calculated vibrational frequencies were scaled by 0.9586

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.