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Compare vibrational frequencies in CCCBDB for C4H8S (Thiophene, tetrahydro-)

HF/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 3266 2957   -14 A   2971  
2 A 3224 2919   -27 A   2946  
3 A 3206 2903   -19 A   2922  
4 A 3179 2879   17 A   2862  
5 A 1636 1481   17 A   1464  
6 A 1607 1455   14 A   1441  
7 A 1486 1345   24 A   1321  
8 A 1432 1296   20 A   1276  
9 A 1344 1217   4 A   1213  
10 A 1265 1146   15 A   1131  
11 A 1133 1026   3 A   1023  
12 A 1111 1006   118 A   888  
13 A 943 854   25 A   829  
14 A 892 808   -14 A   822  
15 A 744 674   -4 A   678  
16 A 514 466   -6 A   472  
17 A 295 267   -23 A   290  
18 B 3267 2958   -4 B   2962  
19 B 3230 2925   -27 B   2952  
20 B 3208 2905   -35 B   2940  
21 B 3177 2876   -56 B   2932  
22 B 1620 1467   8 B   1459  
23 B 1609 1457   6 B   1451  
24 B 1462 1324   19 B   1305  
25 B 1399 1267   4 B   1263  
26 B 1333 1207   11 B   1196  
27 B 1161 1051   -74 B   1125  
28 B 1042 944   -117 B   1061  
29 B 964 873   -164 B   1037  
30 B 956 866   -92 B   958  
31 B 747 676   -8 B   684  
32 B 553 501   -15 B   516  
33 B 128 116    B      
The calculated vibrational frequencies were scaled by 0.9055

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.